4-(acetamidomethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide

C18H17N3O3 — CID 34304149

IUPAC4-(acetamidomethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2ccc3oc(C)nc3c2)cc1
InChIInChI=1S/C18H17N3O3/c1-11(22)19-10-13-3-5-14(6-4-13)18(23)21-15-7-8-17-16(9-15)20-12(2)24-17/h3-9H,10H2,1-2H3,(H,19,22)(H,21,23)
InChIKeyDPSFPFJQXNMFDJ-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.02
Rot. Bonds4

About 4-(acetamidomethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide

4-(acetamidomethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 34304149) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
PubChem CID34304149
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name4-(acetamidomethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2ccc3oc(C)nc3c2)cc1
InChIInChI=1S/C18H17N3O3/c1-11(22)19-10-13-3-5-14(6-4-13)18(23)21-15-7-8-17-16(9-15)20-12(2)24-17/h3-9H,10H2,1-2H3,(H,19,22)(H,21,23)
InChIKeyDPSFPFJQXNMFDJ-UHFFFAOYSA-N
XLogP3.02
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(acetamidomethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetamido-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzamide
CID 110794896
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 24612049
N-(2-methyl-1,3-benzoxazol-5-yl)-4-phenylmethoxybenzamide
CID 35591328
4-(acetamidomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 18194972
4-(acetamidomethyl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide
CID 46691878
2-(2-methyl-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 110773812
2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoylamino]acetic acid
CID 82498910
N-(2-methyl-1,3-benzoxazol-5-yl)-2H-triazolo[4,5-b]pyridine-6-carboxamide
CID 167943195
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfamoyl)benzamide
CID 34303904
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(prop-2-enylsulfamoyl)benzamide
CID 37040634
ethyl 4-[(2-methyl-1,3-benzoxazole-5-carbonyl)amino]benzoate
CID 110388051
1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea
CID 893486

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide (CID 34304149) is 4-(acetamidomethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide is CC(=O)NCc1ccc(C(=O)Nc2ccc3oc(C)nc3c2)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is DPSFPFJQXNMFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-11(22)19-10-13-3-5-14(6-4-13)18(23)21-15-7-8-17-16(9-15)20-12(2)24-17/h3-9H,10H2,1-2H3,(H,19,22)(H,21,23).
What are the key properties of 4-(acetamidomethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
4-(acetamidomethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 323.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 34304149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).