2-oxo-N-[(4-propylphenyl)methyl]-1,3-benzoxazole-3-carboxamide

C18H18N2O3 — CID 118513800

IUPAC2-oxo-N-[(4-propylphenyl)methyl]-1,3-benzoxazole-3-carboxamide
SMILESCCCc1ccc(CNC(=O)n2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C18H18N2O3/c1-2-5-13-8-10-14(11-9-13)12-19-17(21)20-15-6-3-4-7-16(15)23-18(20)22/h3-4,6-11H,2,5,12H2,1H3,(H,19,21)
InChIKeyNAGHHJIDNKQGJS-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.30
Rot. Bonds4

About 2-oxo-N-[(4-propylphenyl)methyl]-1,3-benzoxazole-3-carboxamide

2-oxo-N-[(4-propylphenyl)methyl]-1,3-benzoxazole-3-carboxamide (PubChem CID 118513800) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-oxo-N-[(4-propylphenyl)methyl]-1,3-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(4-propylphenyl)methyl]-1,3-benzoxazole-3-carboxamide
PubChem CID118513800
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-oxo-N-[(4-propylphenyl)methyl]-1,3-benzoxazole-3-carboxamide
SMILESCCCc1ccc(CNC(=O)n2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C18H18N2O3/c1-2-5-13-8-10-14(11-9-13)12-19-17(21)20-15-6-3-4-7-16(15)23-18(20)22/h3-4,6-11H,2,5,12H2,1H3,(H,19,21)
InChIKeyNAGHHJIDNKQGJS-UHFFFAOYSA-N
XLogP3.30
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(4-propylphenyl)methyl]-1,3-benzoxazole-3-carboxamide?
The IUPAC name of 2-oxo-N-[(4-propylphenyl)methyl]-1,3-benzoxazole-3-carboxamide (CID 118513800) is 2-oxo-N-[(4-propylphenyl)methyl]-1,3-benzoxazole-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[(4-propylphenyl)methyl]-1,3-benzoxazole-3-carboxamide?
The canonical SMILES for 2-oxo-N-[(4-propylphenyl)methyl]-1,3-benzoxazole-3-carboxamide is CCCc1ccc(CNC(=O)n2c(=O)oc3ccccc32)cc1.
What is the InChIKey of 2-oxo-N-[(4-propylphenyl)methyl]-1,3-benzoxazole-3-carboxamide?
The InChIKey is NAGHHJIDNKQGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-2-5-13-8-10-14(11-9-13)12-19-17(21)20-15-6-3-4-7-16(15)23-18(20)22/h3-4,6-11H,2,5,12H2,1H3,(H,19,21).
What are the key properties of 2-oxo-N-[(4-propylphenyl)methyl]-1,3-benzoxazole-3-carboxamide?
2-oxo-N-[(4-propylphenyl)methyl]-1,3-benzoxazole-3-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(4-propylphenyl)methyl]-1,3-benzoxazole-3-carboxamide is sourced from PubChem (CID 118513800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).