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1-(5-Isopropyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine

1-(5-Isopropyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine - CAS 938459-06-4

Catalog:	BB041108
Product Name:	1-(5-Isopropyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine
CAS:	938459-06-4
Synonyms:	N-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine

Technical Data

Patents

Computed Properties

IUPAC Name:	N-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine
Description:	1-(5-Isopropyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine (CAS# 938459-06-4) is a useful research chemical.
Molecular Weight:	155.20
Molecular Formula:	C7H13N3O
Canonical SMILES:	CC(C)C1=NC(=NO1)CNC
InChI:	InChI=1S/C7H13N3O/c1-5(2)7-9-6(4-8-3)10-11-7/h5,8H,4H2,1-3H3
InChI Key:	VQKNAAAIDMNTME-UHFFFAOYSA-N
Boiling Point:	235.3 °C at 760 mmHg
Density:	1.032 g/cm³
LogP:	1.30330

Publication Number	Title	Priority Date
EP-3016951-B1	Tricyclic pyrido-carboxamide derivatives as rock inhibitors	20130702
US-2016152628-A1	Tricyclic pyrido-carboxamide derivatives as rock inhibitors	20130702
US-9580392-B2	HIV replication inhibiting pyrimidines	20010813

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Related Functional Groups

Oxadiazole/Thiadiazole

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Complexity:	118
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	155.105862047
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	155.105862047
Rotatable Bond Count:	3
Topological Polar Surface Area:	51
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7