N-(3-methylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide

C16H14N2O3 — CID 110774011

IUPACN-(3-methylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
SMILESCc1cccc(NC(=O)Cc2ccc3oc(=O)[nH]c3c2)c1
InChIInChI=1S/C16H14N2O3/c1-10-3-2-4-12(7-10)17-15(19)9-11-5-6-14-13(8-11)18-16(20)21-14/h2-8H,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyFXOVBGDBOSOCOR-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.61
Rot. Bonds3

About N-(3-methylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide

N-(3-methylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide (PubChem CID 110774011) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
PubChem CID110774011
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-(3-methylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
SMILESCc1cccc(NC(=O)Cc2ccc3oc(=O)[nH]c3c2)c1
InChIInChI=1S/C16H14N2O3/c1-10-3-2-4-12(7-10)17-15(19)9-11-5-6-14-13(8-11)18-16(20)21-14/h2-8H,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyFXOVBGDBOSOCOR-UHFFFAOYSA-N
XLogP2.61
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110774016
ethyl 4-[[2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetyl]amino]benzoate
CID 110774069
N-(2-bromophenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110774064
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37091487
3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide
CID 110786718
N-[(3-methylphenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110390393
N-(2-chlorophenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110774027
4-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110616272
N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110773952
2-[4-(aminomethyl)phenyl]-N-(3-methylphenyl)acetamide
CID 63590654
5-[[3-(methylamino)phenyl]methyl]-3H-1,3-benzoxazol-2-one
CID 116925926
2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide
CID 40805167

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of N-(3-methylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide (CID 110774011) is N-(3-methylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide is Cc1cccc(NC(=O)Cc2ccc3oc(=O)[nH]c3c2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is FXOVBGDBOSOCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-10-3-2-4-12(7-10)17-15(19)9-11-5-6-14-13(8-11)18-16(20)21-14/h2-8H,9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(3-methylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
N-(3-methylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 282.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 110774011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).