N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-oxochromene-3-carboxamide

C16H12N2O4 — CID 16942311

IUPACN-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1onc2c1CCC2)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H12N2O4/c19-14(17-15-10-5-3-6-12(10)18-22-15)11-8-9-4-1-2-7-13(9)21-16(11)20/h1-2,4,7-8H,3,5-6H2,(H,17,19)
InChIKeyNXDIEXYZTJVYJI-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.52
Rot. Bonds2

About N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-oxochromene-3-carboxamide

N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-oxochromene-3-carboxamide (PubChem CID 16942311) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-oxochromene-3-carboxamide
PubChem CID16942311
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1onc2c1CCC2)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H12N2O4/c19-14(17-15-10-5-3-6-12(10)18-22-15)11-8-9-4-1-2-7-13(9)21-16(11)20/h1-2,4,7-8H,3,5-6H2,(H,17,19)
InChIKeyNXDIEXYZTJVYJI-UHFFFAOYSA-N
XLogP2.52
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-oxochromene-3-carboxamide
CID 135551922
4-benzoyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide
CID 16942451
4-benzyl-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)benzamide
CID 16942332
N-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide
CID 42618006
2,5-dichloro-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide
CID 16942469
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
N-tert-butyl-2-oxochromene-3-carboxamide
CID 2798381
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
CID 4127819
2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide
CID 51157990
N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 1442136
N-carbamoyl-2-oxochromene-3-carboxamide
CID 849924
2-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]chromene-3-carboxamide
CID 1137148

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-oxochromene-3-carboxamide (CID 16942311) is N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-oxochromene-3-carboxamide is O=C(Nc1onc2c1CCC2)c1cc2ccccc2oc1=O.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-oxochromene-3-carboxamide?
The InChIKey is NXDIEXYZTJVYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c19-14(17-15-10-5-3-6-12(10)18-22-15)11-8-9-4-1-2-7-13(9)21-16(11)20/h1-2,4,7-8H,3,5-6H2,(H,17,19).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-oxochromene-3-carboxamide?
N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-oxochromene-3-carboxamide has a molecular weight of 296.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 16942311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).