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

C11H15N5O2 — CID 114180836

IUPAC5-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NCc2ncc(CC)o2)n[nH]1
InChIInChI=1S/C11H15N5O2/c1-3-7-5-12-9(18-7)6-13-11(17)10-14-8(4-2)15-16-10/h5H,3-4,6H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyBHFXAAVOKSQECO-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.85
Rot. Bonds5

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

5-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-1,2,4-triazole-3-carboxamide (PubChem CID 114180836) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
PubChem CID114180836
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name5-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NCc2ncc(CC)o2)n[nH]1
InChIInChI=1S/C11H15N5O2/c1-3-7-5-12-9(18-7)6-13-11(17)10-14-8(4-2)15-16-10/h5H,3-4,6H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyBHFXAAVOKSQECO-UHFFFAOYSA-N
XLogP0.85
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 114180825
3-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(methylamino)pyridine-2-carboxamide
CID 106376888
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 106375981
(2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371001
2-(4-aminophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106368469
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide
CID 106377037
5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide
CID 104935632
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypyridine-4-carboxamide
CID 106372873
5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-dimethylbenzamide
CID 106368562
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-hydrazinylpyridine-2-carboxamide
CID 106377448
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-hydrazinylpyridine-4-carboxamide
CID 106377464
2-amino-2-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanamide
CID 106370796

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-1,2,4-triazole-3-carboxamide (CID 114180836) is 5-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-1,2,4-triazole-3-carboxamide is CCc1nc(C(=O)NCc2ncc(CC)o2)n[nH]1.
What is the InChIKey of 5-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is BHFXAAVOKSQECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-3-7-5-12-9(18-7)6-13-11(17)10-14-8(4-2)15-16-10/h5H,3-4,6H2,1-2H3,(H,13,17)(H,14,15,16).
What are the key properties of 5-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-1,2,4-triazole-3-carboxamide?
5-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 114180836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).