N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C16H19N5O3 — CID 129417433

IUPACN-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCC(C)[C@H](Cn1nccn1)NC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C16H19N5O3/c1-11(2)12(9-21-17-7-8-18-21)19-15(22)10-20-13-5-3-4-6-14(13)24-16(20)23/h3-8,11-12H,9-10H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyOQSRAIIFDDZFMW-LBPRGKRZSA-N
MW329.36 g/mol
LogP1.03
Rot. Bonds6

About N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 129417433) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID129417433
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC NameN-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCC(C)[C@H](Cn1nccn1)NC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C16H19N5O3/c1-11(2)12(9-21-17-7-8-18-21)19-15(22)10-20-13-5-3-4-6-14(13)24-16(20)23/h3-8,11-12H,9-10H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyOQSRAIIFDDZFMW-LBPRGKRZSA-N
XLogP1.03
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide 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

2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
N-[(2S)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-2-thiophen-2-ylacetamide
CID 95791970
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 125165614
N-(1-hydroxy-4-methylpentan-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 61245308
N-heptan-2-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46515889
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 16606244
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103855778
N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]furan-2-carboxamide
CID 95791951
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 78778352
N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 97144929
2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid
CID 62676565
N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-1-benzofuran-2-carboxamide
CID 129417735

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 129417433) is N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is CC(C)[C@H](Cn1nccn1)NC(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is OQSRAIIFDDZFMW-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-11(2)12(9-21-17-7-8-18-21)19-15(22)10-20-13-5-3-4-6-14(13)24-16(20)23/h3-8,11-12H,9-10H2,1-2H3,(H,19,22)/t12-/m0/s1.
What are the key properties of N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 329.36 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 129417433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).