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Methyl 6-cyclopropyl-3-(4-fluorophenyl)[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

Methyl 6-cyclopropyl-3-(4-fluorophenyl)[1,2]oxazolo[5,4-b]pyridine-4-carboxylate - CAS 1018144-40-5

Catalog:	BB052527
Product Name:	Methyl 6-cyclopropyl-3-(4-fluorophenyl)[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CAS:	1018144-40-5
Synonyms:	Methyl6-cyclopropyl-3-(4-fluorophenyl)isoxazolo[5,4-b]pyridine-4-carboxylate

Technical Data

Computed Properties

IUPAC Name:	methyl 6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
Molecular Weight:	312.29
Molecular Formula:	C17H13FN2O3
Canonical SMILES:	COC(=O)C1=CC(=NC2=C1C(=NO2)C3=CC=C(C=C3)F)C4CC4
InChI:	InChI=1S/C17H13FN2O3/c1-22-17(21)12-8-13(9-2-3-9)19-16-14(12)15(20-23-16)10-4-6-11(18)7-5-10/h4-9H,2-3H2,1H3
InChI Key:	ARLPCHLXNBOIOV-UHFFFAOYSA-N
Boiling Point:	480.0±45.0 °C at 760 mmHg
Density:	1.4±0.1 g/cm3

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Related Functional Groups

Carbonyl Compounds

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Halides

[134005-20-2]
(Z)-1,3-Diiodo-2-butene
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[111-85-3]
1-Chlorooctane

Oxazolines/Oxazolidines

[68641-49-6]
N,N-Bis(2-oxo-3-oxazolidinyl)phosphinic chloride
[19836-78-3]
3-Methyl-2-oxazolidinone
[158822-84-5]
6-Benzyloxy-2-benzoxazolinone
[59719-53-8]
16-Doxyl-stearic acid methyl ester
[497-25-6]
2-Oxazolidinone
[7127-19-7]
2-Phenyl-2-oxazoline

Complexity:	451
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	312.09102044
Formal Charge:	0
Heavy Atom Count:	23
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	312.09102044
Rotatable Bond Count:	4
Topological Polar Surface Area:	65.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2