3-amino-5-methyl-6-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one

C13H11N3O2 — CID 166133367

IUPAC3-amino-5-methyl-6-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCn1c(-c2ccccc2)cc2onc(N)c2c1=O
InChIInChI=1S/C13H11N3O2/c1-16-9(8-5-3-2-4-6-8)7-10-11(13(16)17)12(14)15-18-10/h2-7H,1H3,(H2,14,15)
InChIKeyCCNNCGWDTBXDFF-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.78
Rot. Bonds1

About 3-amino-5-methyl-6-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one

3-amino-5-methyl-6-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one (PubChem CID 166133367) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-amino-5-methyl-6-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-methyl-6-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
PubChem CID166133367
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name3-amino-5-methyl-6-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCn1c(-c2ccccc2)cc2onc(N)c2c1=O
InChIInChI=1S/C13H11N3O2/c1-16-9(8-5-3-2-4-6-8)7-10-11(13(16)17)12(14)15-18-10/h2-7H,1H3,(H2,14,15)
InChIKeyCCNNCGWDTBXDFF-UHFFFAOYSA-N
XLogP1.78
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 4250909
methyl 4-(5-methyl-4-oxo-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-6-yl)benzoate
CID 24983127
5-methyl-6-[3-[methyl(sulfanyl)amino]phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 142196312
6-[6-(dimethylamino)-3-pyridinyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 22137717
6-[4-(2-hydroxyethoxymethyl)phenyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 22015574
2,6-dimethyl-3,7-diphenyl-2,6-naphthyridine-1,5-dione
CID 139056191
3-amino-1-methyl-6-phenylpyridin-2-one
CID 82096988
6-cyclohexyl-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 22015564
5-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenyl-[1,2]oxazolo[4,3-c]pyridin-4-one
CID 22015579
5-phenylfuro[2,3-d][1,2]oxazol-3-amine
CID 96620339
5-methyl-3-phenyl-7H-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione
CID 137126327
3,5-dimethyl-[1,2]oxazolo[4,5-c]quinolin-4-one
CID 2750999

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-6-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The IUPAC name of 3-amino-5-methyl-6-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one (CID 166133367) is 3-amino-5-methyl-6-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 3-amino-5-methyl-6-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 3-amino-5-methyl-6-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one is Cn1c(-c2ccccc2)cc2onc(N)c2c1=O.
What is the InChIKey of 3-amino-5-methyl-6-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The InChIKey is CCNNCGWDTBXDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-16-9(8-5-3-2-4-6-8)7-10-11(13(16)17)12(14)15-18-10/h2-7H,1H3,(H2,14,15).
What are the key properties of 3-amino-5-methyl-6-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
3-amino-5-methyl-6-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one has a molecular weight of 241.25 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-6-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 166133367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).