6-(4-chlorobenzoyl)-N-(5-naphthalen-2-ylpentyl)-2-oxo-1,3-benzoxazole-3-carboxamide

C30H25ClN2O4 — CID 118514367

IUPAC6-(4-chlorobenzoyl)-N-(5-naphthalen-2-ylpentyl)-2-oxo-1,3-benzoxazole-3-carboxamide
SMILESO=C(c1ccc(Cl)cc1)c1ccc2c(c1)oc(=O)n2C(=O)NCCCCCc1ccc2ccccc2c1
InChIInChI=1S/C30H25ClN2O4/c31-25-14-11-22(12-15-25)28(34)24-13-16-26-27(19-24)37-30(36)33(26)29(35)32-17-5-1-2-6-20-9-10-21-7-3-4-8-23(21)18-20/h3-4,7-16,18-19H,1-2,5-6,17H2,(H,32,35)
InChIKeyYFDWHGDQYZPRBR-UHFFFAOYSA-N
MW512.99 g/mol
LogP6.60
Rot. Bonds8

About 6-(4-chlorobenzoyl)-N-(5-naphthalen-2-ylpentyl)-2-oxo-1,3-benzoxazole-3-carboxamide

6-(4-chlorobenzoyl)-N-(5-naphthalen-2-ylpentyl)-2-oxo-1,3-benzoxazole-3-carboxamide (PubChem CID 118514367) has the molecular formula C30H25ClN2O4 and a molecular weight of 512.99 g/mol. Its IUPAC name is 6-(4-chlorobenzoyl)-N-(5-naphthalen-2-ylpentyl)-2-oxo-1,3-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name6-(4-chlorobenzoyl)-N-(5-naphthalen-2-ylpentyl)-2-oxo-1,3-benzoxazole-3-carboxamide
PubChem CID118514367
Molecular FormulaC30H25ClN2O4
Molecular Weight512.99 g/mol
Exact Mass512.15
IUPAC Name6-(4-chlorobenzoyl)-N-(5-naphthalen-2-ylpentyl)-2-oxo-1,3-benzoxazole-3-carboxamide
SMILESO=C(c1ccc(Cl)cc1)c1ccc2c(c1)oc(=O)n2C(=O)NCCCCCc1ccc2ccccc2c1
InChIInChI=1S/C30H25ClN2O4/c31-25-14-11-22(12-15-25)28(34)24-13-16-26-27(19-24)37-30(36)33(26)29(35)32-17-5-1-2-6-20-9-10-21-7-3-4-8-23(21)18-20/h3-4,7-16,18-19H,1-2,5-6,17H2,(H,32,35)
InChIKeyYFDWHGDQYZPRBR-UHFFFAOYSA-N
XLogP6.60
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.99
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorobenzoyl)-N-(5-naphthalen-2-ylpentyl)-2-oxo-1,3-benzoxazole-3-carboxamide?
The IUPAC name of 6-(4-chlorobenzoyl)-N-(5-naphthalen-2-ylpentyl)-2-oxo-1,3-benzoxazole-3-carboxamide (CID 118514367) is 6-(4-chlorobenzoyl)-N-(5-naphthalen-2-ylpentyl)-2-oxo-1,3-benzoxazole-3-carboxamide.
What is the SMILES notation for 6-(4-chlorobenzoyl)-N-(5-naphthalen-2-ylpentyl)-2-oxo-1,3-benzoxazole-3-carboxamide?
The canonical SMILES for 6-(4-chlorobenzoyl)-N-(5-naphthalen-2-ylpentyl)-2-oxo-1,3-benzoxazole-3-carboxamide is O=C(c1ccc(Cl)cc1)c1ccc2c(c1)oc(=O)n2C(=O)NCCCCCc1ccc2ccccc2c1.
What is the InChIKey of 6-(4-chlorobenzoyl)-N-(5-naphthalen-2-ylpentyl)-2-oxo-1,3-benzoxazole-3-carboxamide?
The InChIKey is YFDWHGDQYZPRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClN2O4/c31-25-14-11-22(12-15-25)28(34)24-13-16-26-27(19-24)37-30(36)33(26)29(35)32-17-5-1-2-6-20-9-10-21-7-3-4-8-23(21)18-20/h3-4,7-16,18-19H,1-2,5-6,17H2,(H,32,35).
What are the key properties of 6-(4-chlorobenzoyl)-N-(5-naphthalen-2-ylpentyl)-2-oxo-1,3-benzoxazole-3-carboxamide?
6-(4-chlorobenzoyl)-N-(5-naphthalen-2-ylpentyl)-2-oxo-1,3-benzoxazole-3-carboxamide has a molecular weight of 512.99 g/mol, XLogP of 6.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorobenzoyl)-N-(5-naphthalen-2-ylpentyl)-2-oxo-1,3-benzoxazole-3-carboxamide is sourced from PubChem (CID 118514367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).