2-(1,2-benzoxazol-3-yl)-N-[(4-methylphenyl)methyl]acetamide

C17H16N2O2 — CID 1482045

IUPAC2-(1,2-benzoxazol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cc2noc3ccccc23)cc1
InChIInChI=1S/C17H16N2O2/c1-12-6-8-13(9-7-12)11-18-17(20)10-15-14-4-2-3-5-16(14)21-19-15/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyMKLDDHCSMKTLEI-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.00
Rot. Bonds4

About 2-(1,2-benzoxazol-3-yl)-N-[(4-methylphenyl)methyl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 1482045) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID1482045
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cc2noc3ccccc23)cc1
InChIInChI=1S/C17H16N2O2/c1-12-6-8-13(9-7-12)11-18-17(20)10-15-14-4-2-3-5-16(14)21-19-15/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyMKLDDHCSMKTLEI-UHFFFAOYSA-N
XLogP3.00
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(4-methylphenyl)methyl]acetamide (CID 1482045) is 2-(1,2-benzoxazol-3-yl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)Cc2noc3ccccc23)cc1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is MKLDDHCSMKTLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-6-8-13(9-7-12)11-18-17(20)10-15-14-4-2-3-5-16(14)21-19-15/h2-9H,10-11H2,1H3,(H,18,20).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[(4-methylphenyl)methyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 280.33 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 1482045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).