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

C18H17N3O4 — CID 134019204

IUPACN-(3-acetamido-2-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cn2c(=O)oc3ccccc32)c1C
InChIInChI=1S/C18H17N3O4/c1-11-13(19-12(2)22)6-5-7-14(11)20-17(23)10-21-15-8-3-4-9-16(15)25-18(21)24/h3-9H,10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyICVVSSSIINNXNN-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.50
Rot. Bonds4

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

N-(3-acetamido-2-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 134019204) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-(3-acetamido-2-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetamido-2-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID134019204
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-(3-acetamido-2-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cn2c(=O)oc3ccccc32)c1C
InChIInChI=1S/C18H17N3O4/c1-11-13(19-12(2)22)6-5-7-14(11)20-17(23)10-21-15-8-3-4-9-16(15)25-18(21)24/h3-9H,10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyICVVSSSIINNXNN-UHFFFAOYSA-N
XLogP2.50
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 1081528
ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzoate
CID 4055331
N-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 3163772
N-(2,3-dimethylphenyl)-2-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperazin-1-yl]acetamide
CID 27859694
N-(4-bromo-2-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3580501
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 18886697
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-oxo-1H-pyridin-3-yl)acetamide
CID 71939920
N-(3-hydroxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 18886705
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(propan-2-ylideneamino)acetamide
CID 89398509
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 27264387
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 1096304

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-2-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(3-acetamido-2-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 134019204) is N-(3-acetamido-2-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(3-acetamido-2-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(3-acetamido-2-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is CC(=O)Nc1cccc(NC(=O)Cn2c(=O)oc3ccccc32)c1C.
What is the InChIKey of N-(3-acetamido-2-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is ICVVSSSIINNXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-11-13(19-12(2)22)6-5-7-14(11)20-17(23)10-21-15-8-3-4-9-16(15)25-18(21)24/h3-9H,10H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-(3-acetamido-2-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(3-acetamido-2-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 339.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-2-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 134019204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).