N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3-oxo-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxamide

C15H13FN4O4 — CID 167975510

IUPACN-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3-oxo-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxamide
SMILESCc1nc2c(F)cc(NC(=O)N3CCc4c(o[nH]c4=O)C3)cc2o1
InChIInChI=1S/C15H13FN4O4/c1-7-17-13-10(16)4-8(5-11(13)23-7)18-15(22)20-3-2-9-12(6-20)24-19-14(9)21/h4-5H,2-3,6H2,1H3,(H,18,22)(H,19,21)
InChIKeyGOJQWWJYBUYRPT-UHFFFAOYSA-N
MW332.29 g/mol
LogP2.15
Rot. Bonds1

About N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3-oxo-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxamide

N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3-oxo-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxamide (PubChem CID 167975510) has the molecular formula C15H13FN4O4 and a molecular weight of 332.29 g/mol. Its IUPAC name is N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3-oxo-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3-oxo-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxamide
PubChem CID167975510
Molecular FormulaC15H13FN4O4
Molecular Weight332.29 g/mol
Exact Mass332.09
IUPAC NameN-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3-oxo-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxamide
SMILESCc1nc2c(F)cc(NC(=O)N3CCc4c(o[nH]c4=O)C3)cc2o1
InChIInChI=1S/C15H13FN4O4/c1-7-17-13-10(16)4-8(5-11(13)23-7)18-15(22)20-3-2-9-12(6-20)24-19-14(9)21/h4-5H,2-3,6H2,1H3,(H,18,22)(H,19,21)
InChIKeyGOJQWWJYBUYRPT-UHFFFAOYSA-N
XLogP2.15
TPSA104.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole-2-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one;hydrochloride
CID 135331341
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CID 171706467
6-[8-methyl-1-(oxan-4-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carbonyl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one
CID 58575395
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CID 7283435
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N-(3-fluorophenyl)-8-methoxy-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carboxamide
CID 4288481
N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
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N-(3-fluoro-4-methylphenyl)-4-phenyl-7-thia-2,3,5,10-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene-10-carboxamide
CID 53080107

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3-oxo-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxamide?
The IUPAC name of N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3-oxo-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxamide (CID 167975510) is N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3-oxo-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3-oxo-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3-oxo-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxamide is Cc1nc2c(F)cc(NC(=O)N3CCc4c(o[nH]c4=O)C3)cc2o1.
What is the InChIKey of N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3-oxo-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxamide?
The InChIKey is GOJQWWJYBUYRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O4/c1-7-17-13-10(16)4-8(5-11(13)23-7)18-15(22)20-3-2-9-12(6-20)24-19-14(9)21/h4-5H,2-3,6H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3-oxo-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxamide?
N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3-oxo-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxamide has a molecular weight of 332.29 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3-oxo-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxamide is sourced from PubChem (CID 167975510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).