6-cyclohexyl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide

C24H28N2O3 — CID 155523592

IUPAC6-cyclohexyl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
SMILESO=C(NCCCCc1ccccc1)n1c(=O)oc2cc(C3CCCCC3)ccc21
InChIInChI=1S/C24H28N2O3/c27-23(25-16-8-7-11-18-9-3-1-4-10-18)26-21-15-14-20(17-22(21)29-24(26)28)19-12-5-2-6-13-19/h1,3-4,9-10,14-15,17,19H,2,5-8,11-13,16H2,(H,25,27)
InChIKeyYGIMFFHHFLJGHO-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.22
Rot. Bonds6

About 6-cyclohexyl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide

6-cyclohexyl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide (PubChem CID 155523592) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 6-cyclohexyl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name6-cyclohexyl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
PubChem CID155523592
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name6-cyclohexyl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
SMILESO=C(NCCCCc1ccccc1)n1c(=O)oc2cc(C3CCCCC3)ccc21
InChIInChI=1S/C24H28N2O3/c27-23(25-16-8-7-11-18-9-3-1-4-10-18)26-21-15-14-20(17-22(21)29-24(26)28)19-12-5-2-6-13-19/h1,3-4,9-10,14-15,17,19H,2,5-8,11-13,16H2,(H,25,27)
InChIKeyYGIMFFHHFLJGHO-UHFFFAOYSA-N
XLogP5.22
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-cyclohexyl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
The IUPAC name of 6-cyclohexyl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide (CID 155523592) is 6-cyclohexyl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide.
What is the SMILES notation for 6-cyclohexyl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
The canonical SMILES for 6-cyclohexyl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide is O=C(NCCCCc1ccccc1)n1c(=O)oc2cc(C3CCCCC3)ccc21.
What is the InChIKey of 6-cyclohexyl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
The InChIKey is YGIMFFHHFLJGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c27-23(25-16-8-7-11-18-9-3-1-4-10-18)26-21-15-14-20(17-22(21)29-24(26)28)19-12-5-2-6-13-19/h1,3-4,9-10,14-15,17,19H,2,5-8,11-13,16H2,(H,25,27).
What are the key properties of 6-cyclohexyl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?
6-cyclohexyl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide is sourced from PubChem (CID 155523592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).