N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide

C14H16N2O2 — CID 47861733

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2c(C)noc2C)c1
InChIInChI=1S/C14H16N2O2/c1-9-5-4-6-12(7-9)14(17)15-8-13-10(2)16-18-11(13)3/h4-7H,8H2,1-3H3,(H,15,17)
InChIKeyYWABYSCCKYHPPO-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.53
Rot. Bonds3

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide (PubChem CID 47861733) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide
PubChem CID47861733
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2c(C)noc2C)c1
InChIInChI=1S/C14H16N2O2/c1-9-5-4-6-12(7-9)14(17)15-8-13-10(2)16-18-11(13)3/h4-7H,8H2,1-3H3,(H,15,17)
InChIKeyYWABYSCCKYHPPO-UHFFFAOYSA-N
XLogP2.53
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide 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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxybenzamide
CID 79241601
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbenzamide
CID 110422781
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 47864349
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-4-iodobenzamide
CID 104627877
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]benzamide
CID 47935404
3-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluorobenzamide
CID 103707100
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroxybenzamide
CID 114344508
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 34066495
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 135098958
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylindole-6-carboxamide
CID 112528639
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-1-benzofuran-2-carboxamide
CID 112528579
4-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-nitrobenzamide
CID 47862981

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide (CID 47861733) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide is Cc1cccc(C(=O)NCc2c(C)noc2C)c1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide?
The InChIKey is YWABYSCCKYHPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-5-4-6-12(7-9)14(17)15-8-13-10(2)16-18-11(13)3/h4-7H,8H2,1-3H3,(H,15,17).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide has a molecular weight of 244.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide is sourced from PubChem (CID 47861733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).