N-[2-[(2R)-butan-2-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C16H20N2O2 — CID 7718787

IUPACN-[2-[(2R)-butan-2-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)c1c(C)noc1C
InChIInChI=1S/C16H20N2O2/c1-5-10(2)13-8-6-7-9-14(13)17-16(19)15-11(3)18-20-12(15)4/h6-10H,5H2,1-4H3,(H,17,19)/t10-/m1/s1
InChIKeyZOTFSUNODVEFPC-SNVBAGLBSA-N
MW272.35 g/mol
LogP4.06
Rot. Bonds4

About N-[2-[(2R)-butan-2-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[2-[(2R)-butan-2-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 7718787) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[2-[(2R)-butan-2-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2R)-butan-2-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID7718787
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[2-[(2R)-butan-2-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)c1c(C)noc1C
InChIInChI=1S/C16H20N2O2/c1-5-10(2)13-8-6-7-9-14(13)17-16(19)15-11(3)18-20-12(15)4/h6-10H,5H2,1-4H3,(H,17,19)/t10-/m1/s1
InChIKeyZOTFSUNODVEFPC-SNVBAGLBSA-N
XLogP4.06
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[(2R)-butan-2-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide 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-[2-[(2R)-butan-2-yl]phenyl]furan-2-carboxamide
CID 959679
N-(2-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17174295
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N-(2-butan-2-ylphenyl)-4-methylthiadiazole-5-carboxamide
CID 45145420
N-[1-(4-butan-2-ylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17249884
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2682172
3,5-dimethyl-N-[1-(2-methylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 18082542
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
3,5-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 18158423
N-(2-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide
CID 80710438
4-acetyl-N-(2-butan-2-ylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3893768

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-butan-2-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-[(2R)-butan-2-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 7718787) is N-[2-[(2R)-butan-2-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[(2R)-butan-2-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[(2R)-butan-2-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is CC[C@@H](C)c1ccccc1NC(=O)c1c(C)noc1C.
What is the InChIKey of N-[2-[(2R)-butan-2-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is ZOTFSUNODVEFPC-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-5-10(2)13-8-6-7-9-14(13)17-16(19)15-11(3)18-20-12(15)4/h6-10H,5H2,1-4H3,(H,17,19)/t10-/m1/s1.
What are the key properties of N-[2-[(2R)-butan-2-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[2-[(2R)-butan-2-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-butan-2-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 7718787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).