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

C14H16N2O2 — CID 110714591

IUPAC3,4-dimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2ccc(C)c(C)c2)co1
InChIInChI=1S/C14H16N2O2/c1-9-4-5-12(6-10(9)2)14(17)15-7-13-8-18-11(3)16-13/h4-6,8H,7H2,1-3H3,(H,15,17)
InChIKeyBUHGXXAFHZTWRP-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.53
Rot. Bonds3

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

3,4-dimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide (PubChem CID 110714591) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide
PubChem CID110714591
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3,4-dimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2ccc(C)c(C)c2)co1
InChIInChI=1S/C14H16N2O2/c1-9-4-5-12(6-10(9)2)14(17)15-7-13-8-18-11(3)16-13/h4-6,8H,7H2,1-3H3,(H,15,17)
InChIKeyBUHGXXAFHZTWRP-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

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Related Compounds

3,4-dimethoxy-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide
CID 110714594
3,4-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318313
3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330914
N-[(1,5-dimethylpyrazol-3-yl)methyl]-3,4-dimethylbenzamide
CID 19329054
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,4-dimethylbenzamide
CID 110739109
N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110743046
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,4-dimethylbenzamide
CID 121123528
N-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide
CID 60739135
3-[(2-methyl-1,3-oxazol-4-yl)methylcarbamoyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylic acid
CID 166284705
3-methyl-4-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55163251
4-[3-[(2-methyl-1,3-oxazol-4-yl)methylamino]-3-oxopropyl]benzoic acid
CID 146143246
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylbenzamide
CID 110731036

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide (CID 110714591) is 3,4-dimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide is Cc1nc(CNC(=O)c2ccc(C)c(C)c2)co1.
What is the InChIKey of 3,4-dimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide?
The InChIKey is BUHGXXAFHZTWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-4-5-12(6-10(9)2)14(17)15-7-13-8-18-11(3)16-13/h4-6,8H,7H2,1-3H3,(H,15,17).
What are the key properties of 3,4-dimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide?
3,4-dimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide 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 3,4-dimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide is sourced from PubChem (CID 110714591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).