5-ethyl-N-(2H-triazol-4-yl)-1,3-oxazole-4-carboxamide

C8H9N5O2 — CID 167869532

IUPAC5-ethyl-N-(2H-triazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)Nc1cn[nH]n1
InChIInChI=1S/C8H9N5O2/c1-2-5-7(9-4-15-5)8(14)11-6-3-10-13-12-6/h3-4H,2H2,1H3,(H2,10,11,12,13,14)
InChIKeyDPYNXVAYMSVHBD-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.61
Rot. Bonds3

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

5-ethyl-N-(2H-triazol-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 167869532) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 5-ethyl-N-(2H-triazol-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(2H-triazol-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID167869532
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name5-ethyl-N-(2H-triazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)Nc1cn[nH]n1
InChIInChI=1S/C8H9N5O2/c1-2-5-7(9-4-15-5)8(14)11-6-3-10-13-12-6/h3-4H,2H2,1H3,(H2,10,11,12,13,14)
InChIKeyDPYNXVAYMSVHBD-UHFFFAOYSA-N
XLogP0.61
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[4-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]benzoyl]amino]propanoic acid
CID 129468626
2-[1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclobutyl]acetic acid
CID 119217767
5-ethyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-1,3-oxazole-4-carboxamide
CID 75372840
N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 74548344
2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-2-phenylbutanoic acid
CID 119201948
N-(2,6-dichlorophenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide
CID 84584476
N-(5-ethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide
CID 47423483
2-[[(5-ethyl-1,3-oxazole-4-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245115
2-(ethylamino)-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide
CID 154770631
4-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-4-phenylbutanoic acid
CID 119201237
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 125167167
2-[(4-ethoxyphenyl)methyl]-3-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]propanoic acid
CID 119232157

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2H-triazol-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-(2H-triazol-4-yl)-1,3-oxazole-4-carboxamide (CID 167869532) is 5-ethyl-N-(2H-triazol-4-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-(2H-triazol-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-(2H-triazol-4-yl)-1,3-oxazole-4-carboxamide is CCc1ocnc1C(=O)Nc1cn[nH]n1.
What is the InChIKey of 5-ethyl-N-(2H-triazol-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is DPYNXVAYMSVHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-2-5-7(9-4-15-5)8(14)11-6-3-10-13-12-6/h3-4H,2H2,1H3,(H2,10,11,12,13,14).
What are the key properties of 5-ethyl-N-(2H-triazol-4-yl)-1,3-oxazole-4-carboxamide?
5-ethyl-N-(2H-triazol-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 207.19 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2H-triazol-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 167869532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).