N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide

C9H11N5O2 — CID 103949075

IUPACN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCc1cnc(C(C)NC(=O)c2ncn[nH]2)o1
InChIInChI=1S/C9H11N5O2/c1-5-3-10-9(16-5)6(2)13-8(15)7-11-4-12-14-7/h3-4,6H,1-2H3,(H,13,15)(H,11,12,14)
InChIKeyKJDDXZWEAUHELW-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.59
Rot. Bonds3

About N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 103949075) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID103949075
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCc1cnc(C(C)NC(=O)c2ncn[nH]2)o1
InChIInChI=1S/C9H11N5O2/c1-5-3-10-9(16-5)6(2)13-8(15)7-11-4-12-14-7/h3-4,6H,1-2H3,(H,13,15)(H,11,12,14)
InChIKeyKJDDXZWEAUHELW-UHFFFAOYSA-N
XLogP0.59
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide (CID 103949075) is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide is Cc1cnc(C(C)NC(=O)c2ncn[nH]2)o1.
What is the InChIKey of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is KJDDXZWEAUHELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-5-3-10-9(16-5)6(2)13-8(15)7-11-4-12-14-7/h3-4,6H,1-2H3,(H,13,15)(H,11,12,14).
What are the key properties of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 221.22 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 103949075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).