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

C10H13N5O2 — CID 68802537

IUPAC2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCCc1n[nH]c(Cc2nc(C(N)=O)c(C)o2)n1
InChIInChI=1S/C10H13N5O2/c1-3-6-12-7(15-14-6)4-8-13-9(10(11)16)5(2)17-8/h3-4H2,1-2H3,(H2,11,16)(H,12,14,15)
InChIKeyQSYMEFRHHKEURU-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.35
Rot. Bonds4

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

2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 68802537) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID68802537
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCCc1n[nH]c(Cc2nc(C(N)=O)c(C)o2)n1
InChIInChI=1S/C10H13N5O2/c1-3-6-12-7(15-14-6)4-8-13-9(10(11)16)5(2)17-8/h3-4H2,1-2H3,(H2,11,16)(H,12,14,15)
InChIKeyQSYMEFRHHKEURU-UHFFFAOYSA-N
XLogP0.35
TPSA110.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 68802537) is 2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide is CCc1n[nH]c(Cc2nc(C(N)=O)c(C)o2)n1.
What is the InChIKey of 2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is QSYMEFRHHKEURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-3-6-12-7(15-14-6)4-8-13-9(10(11)16)5(2)17-8/h3-4H2,1-2H3,(H2,11,16)(H,12,14,15).
What are the key properties of 2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide?
2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 235.25 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 68802537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).