2,3-Dihydropyrido[2,3-d][1,3]oxazol-2-one - CAS 60832-72-6
Catalog: |
BB067675 |
Product Name: |
2,3-Dihydropyrido[2,3-d][1,3]oxazol-2-one |
CAS: |
60832-72-6 |
Synonyms: |
2,3-Dihydropyrido[2,3-d][1,3]oxazol-2-one; Oxazolo[4,5-b]pyridin-2(3H)-one; 3H-Oxazolo[4,5-b]pyridin-2-one; [1,3]Oxazolo[4,5-b]pyridin-2(3H)-one |
IUPAC Name: | 3H-[1,3]oxazolo[4,5-b]pyridin-2-one |
Description: | A benzoxazolone analogue that may be used to inhibit the nitric oxide synthases (NOS). |
Molecular Weight: | 136.11 |
Molecular Formula: | C6H4N2O2 |
Canonical SMILES: | C1=CC2=C(NC(=O)O2)N=C1 |
InChI: | InChI=1S/C6H4N2O2/c9-6-8-5-4(10-6)2-1-3-7-5/h1-3H,(H,7,8,9) |
InChI Key: | OVLXOTUWFLHWQT-UHFFFAOYSA-N |
Melting Point: | 212-214°C |
Solubility: | DMSO, Methanol |
Appearance: | Tan Solid |
Storage: | 4°C |
References: | Shankaran, K. et. al. Bioorgan. Med. Chem. Lett. 7, 2887(1997). |
GHS Hazard Statement: | H302+H312+H332 (60%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.027277375 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.027277375 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 51.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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