N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-oxochromene-3-carboxamide

C24H16N2O4 — CID 3632936

IUPACN-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-oxochromene-3-carboxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)c4cc5ccccc5oc4=O)cc3)oc2c1
InChIInChI=1S/C24H16N2O4/c1-14-6-11-19-21(12-14)29-23(26-19)15-7-9-17(10-8-15)25-22(27)18-13-16-4-2-3-5-20(16)30-24(18)28/h2-13H,1H3,(H,25,27)
InChIKeySQNZMUABTQKDMJ-UHFFFAOYSA-N
MW396.40 g/mol
LogP5.16
Rot. Bonds3

About N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-oxochromene-3-carboxamide

N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-oxochromene-3-carboxamide (PubChem CID 3632936) has the molecular formula C24H16N2O4 and a molecular weight of 396.40 g/mol. Its IUPAC name is N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-oxochromene-3-carboxamide
PubChem CID3632936
Molecular FormulaC24H16N2O4
Molecular Weight396.40 g/mol
Exact Mass396.11
IUPAC NameN-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-oxochromene-3-carboxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)c4cc5ccccc5oc4=O)cc3)oc2c1
InChIInChI=1S/C24H16N2O4/c1-14-6-11-19-21(12-14)29-23(26-19)15-7-9-17(10-8-15)25-22(27)18-13-16-4-2-3-5-20(16)30-24(18)28/h2-13H,1H3,(H,25,27)
InChIKeySQNZMUABTQKDMJ-UHFFFAOYSA-N
XLogP5.16
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.40
LogP ≤ 55.16
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-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
CID 3100050
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-diphenylacetamide
CID 4244780
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17100800
N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-2-oxochromene-3-carboxamide
CID 20930875
2,3,4,5,6-pentafluoro-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 3363557
N-[2-[(4-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide
CID 16814897
(E)-N,N'-bis[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]but-2-enediamide
CID 101118961
2-methyl-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 698044
N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-oxochromene-3-carboxamide
CID 91813609
N-(2-methyl-3H-benzimidazol-5-yl)-2-oxochromene-3-carboxamide
CID 110743882
2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
CID 724176
2-ethoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]benzamide
CID 9320899

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-oxochromene-3-carboxamide (CID 3632936) is N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-oxochromene-3-carboxamide is Cc1ccc2nc(-c3ccc(NC(=O)c4cc5ccccc5oc4=O)cc3)oc2c1.
What is the InChIKey of N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-oxochromene-3-carboxamide?
The InChIKey is SQNZMUABTQKDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O4/c1-14-6-11-19-21(12-14)29-23(26-19)15-7-9-17(10-8-15)25-22(27)18-13-16-4-2-3-5-20(16)30-24(18)28/h2-13H,1H3,(H,25,27).
What are the key properties of N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-oxochromene-3-carboxamide?
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-oxochromene-3-carboxamide has a molecular weight of 396.40 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 3632936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).