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

C13H19N5O2 — CID 70711819

IUPAC5-ethyl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)N(C)Cc1nncn1C(C)C
InChIInChI=1S/C13H19N5O2/c1-5-10-12(14-8-20-10)13(19)17(4)6-11-16-15-7-18(11)9(2)3/h7-9H,5-6H2,1-4H3
InChIKeyPCFWQZMFAYFRLZ-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.68
Rot. Bonds5

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

5-ethyl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 70711819) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 5-ethyl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID70711819
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name5-ethyl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)N(C)Cc1nncn1C(C)C
InChIInChI=1S/C13H19N5O2/c1-5-10-12(14-8-20-10)13(19)17(4)6-11-16-15-7-18(11)9(2)3/h7-9H,5-6H2,1-4H3
InChIKeyPCFWQZMFAYFRLZ-UHFFFAOYSA-N
XLogP1.68
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,3-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

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,3-oxazole-4-carboxamide (CID 70711819) is 5-ethyl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,3-oxazole-4-carboxamide is CCc1ocnc1C(=O)N(C)Cc1nncn1C(C)C.
What is the InChIKey of 5-ethyl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is PCFWQZMFAYFRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-5-10-12(14-8-20-10)13(19)17(4)6-11-16-15-7-18(11)9(2)3/h7-9H,5-6H2,1-4H3.
What are the key properties of 5-ethyl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,3-oxazole-4-carboxamide?
5-ethyl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 70711819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).