2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)propanamide

C10H13N5O2 — CID 16877082

IUPAC2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCc1cc(NC(=O)C(C)Cn2cncn2)no1
InChIInChI=1S/C10H13N5O2/c1-7(4-15-6-11-5-12-15)10(16)13-9-3-8(2)17-14-9/h3,5-7H,4H2,1-2H3,(H,13,14,16)
InChIKeyJECXUYRXDPWEIR-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.85
Rot. Bonds4

About 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)propanamide

2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 16877082) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID16877082
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCc1cc(NC(=O)C(C)Cn2cncn2)no1
InChIInChI=1S/C10H13N5O2/c1-7(4-15-6-11-5-12-15)10(16)13-9-3-8(2)17-14-9/h3,5-7H,4H2,1-2H3,(H,13,14,16)
InChIKeyJECXUYRXDPWEIR-UHFFFAOYSA-N
XLogP0.85
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)propanamide (CID 16877082) is 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)propanamide is Cc1cc(NC(=O)C(C)Cn2cncn2)no1.
What is the InChIKey of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is JECXUYRXDPWEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-7(4-15-6-11-5-12-15)10(16)13-9-3-8(2)17-14-9/h3,5-7H,4H2,1-2H3,(H,13,14,16).
What are the key properties of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)propanamide?
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 235.25 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 16877082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).