2-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxamide

C13H14N2O2 — CID 110702169

IUPAC2-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cnc(C)o2)cc1
InChIInChI=1S/C13H14N2O2/c1-9-3-5-11(6-4-9)7-15-13(16)12-8-14-10(2)17-12/h3-6,8H,7H2,1-2H3,(H,15,16)
InChIKeyZVJPXAICYLAARF-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.22
Rot. Bonds3

About 2-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxamide

2-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxamide (PubChem CID 110702169) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxamide
PubChem CID110702169
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cnc(C)o2)cc1
InChIInChI=1S/C13H14N2O2/c1-9-3-5-11(6-4-9)7-15-13(16)12-8-14-10(2)17-12/h3-6,8H,7H2,1-2H3,(H,15,16)
InChIKeyZVJPXAICYLAARF-UHFFFAOYSA-N
XLogP2.22
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-methyl-1,3-oxazole-5-carboxamide
CID 110702158
2-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 110691373
N-[(4-methylphenyl)methyl]-3-sulfanylpyridine-2-carboxamide
CID 5274904
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
N-[(3-methylphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide
CID 110681408
N,5-bis[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22432031
6-hydrazinyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 51370237
5-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109271773
7-methyl-N-[(4-methylphenyl)methyl]furo[2,3-b]quinoline-2-carboxamide
CID 3279861
5-bromo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 7978577
2-(3,5-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256132
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxamide (CID 110702169) is 2-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxamide is Cc1ccc(CNC(=O)c2cnc(C)o2)cc1.
What is the InChIKey of 2-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is ZVJPXAICYLAARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-3-5-11(6-4-9)7-15-13(16)12-8-14-10(2)17-12/h3-6,8H,7H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxamide?
2-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 110702169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).