N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-oxochromene-3-carboxamide

C23H15N3O4 — CID 91813609

IUPACN-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-oxochromene-3-carboxamide
SMILESCc1nc2oc(-c3ccccc3)nc2cc1NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C23H15N3O4/c1-13-17(12-18-22(24-13)30-21(26-18)14-7-3-2-4-8-14)25-20(27)16-11-15-9-5-6-10-19(15)29-23(16)28/h2-12H,1H3,(H,25,27)
InChIKeyAZPUFKGDLSPFHO-UHFFFAOYSA-N
MW397.39 g/mol
LogP4.56
Rot. Bonds3

About N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-oxochromene-3-carboxamide

N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-oxochromene-3-carboxamide (PubChem CID 91813609) has the molecular formula C23H15N3O4 and a molecular weight of 397.39 g/mol. Its IUPAC name is N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-oxochromene-3-carboxamide
PubChem CID91813609
Molecular FormulaC23H15N3O4
Molecular Weight397.39 g/mol
Exact Mass397.11
IUPAC NameN-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-oxochromene-3-carboxamide
SMILESCc1nc2oc(-c3ccccc3)nc2cc1NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C23H15N3O4/c1-13-17(12-18-22(24-13)30-21(26-18)14-7-3-2-4-8-14)25-20(27)16-11-15-9-5-6-10-19(15)29-23(16)28/h2-12H,1H3,(H,25,27)
InChIKeyAZPUFKGDLSPFHO-UHFFFAOYSA-N
XLogP4.56
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)benzamide
CID 91624677
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-oxochromene-3-carboxamide
CID 3632936
3-(2-chlorophenyl)-5-methyl-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1,2-oxazole-4-carboxamide
CID 91624668
N-(5-amino-6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide
CID 82330981
N-(3-carbamoyl-2-methylphenyl)-2-oxochromene-3-carboxamide
CID 34584567
dimethyl 2-[(2-oxochromene-3-carbonyl)amino]benzene-1,4-dicarboxylate
CID 1033949
2-oxochromene-3-carboxylic acid
CID 161011590
N-(2-methyl-4-pyridinyl)-2-oxochromene-3-carboxamide
CID 110757271
N-(2,4-dimethoxy-3-methylphenyl)-2-oxochromene-3-carboxamide
CID 110792977
N-(2H-benzotriazol-4-yl)-2-oxochromene-3-carboxamide
CID 110745226
N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
CID 110665891
2-[(6,7-dimethyl-2-oxochromene-3-carbonyl)amino]benzoic acid
CID 89114835

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-oxochromene-3-carboxamide (CID 91813609) is N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-oxochromene-3-carboxamide is Cc1nc2oc(-c3ccccc3)nc2cc1NC(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-oxochromene-3-carboxamide?
The InChIKey is AZPUFKGDLSPFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O4/c1-13-17(12-18-22(24-13)30-21(26-18)14-7-3-2-4-8-14)25-20(27)16-11-15-9-5-6-10-19(15)29-23(16)28/h2-12H,1H3,(H,25,27).
What are the key properties of N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-oxochromene-3-carboxamide?
N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-oxochromene-3-carboxamide has a molecular weight of 397.39 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 91813609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).