2-ethyl-4-methyl-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-5-carboxamide

C12H17N5O2 — CID 95199242

IUPAC2-ethyl-4-methyl-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N[C@@H](C)c2n[nH]c(C)n2)o1
InChIInChI=1S/C12H17N5O2/c1-5-9-13-6(2)10(19-9)12(18)14-7(3)11-15-8(4)16-17-11/h7H,5H2,1-4H3,(H,14,18)(H,15,16,17)/t7-/m0/s1
InChIKeyOFBGYJNLPVQJGB-ZETCQYMHSA-N
MW263.30 g/mol
LogP1.46
Rot. Bonds4

About 2-ethyl-4-methyl-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-5-carboxamide

2-ethyl-4-methyl-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-5-carboxamide (PubChem CID 95199242) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-5-carboxamide
PubChem CID95199242
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name2-ethyl-4-methyl-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N[C@@H](C)c2n[nH]c(C)n2)o1
InChIInChI=1S/C12H17N5O2/c1-5-9-13-6(2)10(19-9)12(18)14-7(3)11-15-8(4)16-17-11/h7H,5H2,1-4H3,(H,14,18)(H,15,16,17)/t7-/m0/s1
InChIKeyOFBGYJNLPVQJGB-ZETCQYMHSA-N
XLogP1.46
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-4-methyl-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-5-carboxamide (CID 95199242) is 2-ethyl-4-methyl-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)N[C@@H](C)c2n[nH]c(C)n2)o1.
What is the InChIKey of 2-ethyl-4-methyl-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-5-carboxamide?
The InChIKey is OFBGYJNLPVQJGB-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-5-9-13-6(2)10(19-9)12(18)14-7(3)11-15-8(4)16-17-11/h7H,5H2,1-4H3,(H,14,18)(H,15,16,17)/t7-/m0/s1.
What are the key properties of 2-ethyl-4-methyl-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-5-carboxamide?
2-ethyl-4-methyl-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-5-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 95199242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).