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

C16H17N5O2 — CID 56914942

IUPACN-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-phenyltriazole-4-carboxamide
SMILESCCc1cc(C(C)NC(=O)c2cn(-c3ccccc3)nn2)on1
InChIInChI=1S/C16H17N5O2/c1-3-12-9-15(23-19-12)11(2)17-16(22)14-10-21(20-18-14)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,17,22)
InChIKeyBERCKTCHQVLSTP-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.31
Rot. Bonds5

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

N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-phenyltriazole-4-carboxamide (PubChem CID 56914942) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-phenyltriazole-4-carboxamide
PubChem CID56914942
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC NameN-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-phenyltriazole-4-carboxamide
SMILESCCc1cc(C(C)NC(=O)c2cn(-c3ccccc3)nn2)on1
InChIInChI=1S/C16H17N5O2/c1-3-12-9-15(23-19-12)11(2)17-16(22)14-10-21(20-18-14)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,17,22)
InChIKeyBERCKTCHQVLSTP-UHFFFAOYSA-N
XLogP2.31
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1-phenyltriazole-4-carbonyl)amino]butanoic acid
CID 43360787
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-phenyltriazole-4-carboxamide
CID 43067824
4-methyl-2-[(1-phenyltriazole-4-carbonyl)amino]pentanoic acid
CID 119188578
N-[(2S)-1-hydroxybutan-2-yl]-1-phenyltriazole-4-carboxamide
CID 104981237
N-(2-amino-2-oxo-1-phenylethyl)-1-phenyltriazole-4-carboxamide
CID 56811941
N-[(2R)-butan-2-yl]-1-(3-fluorophenyl)triazole-4-carboxamide
CID 95086934
N-[1-(1-phenyltriazol-4-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119822395
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethylphenyl)triazole-4-carboxamide
CID 95183306
methyl 2-[(1-phenyltriazole-4-carbonyl)amino]acetate
CID 43066587
N-(3-hydroxy-2,2,4-trimethylpentyl)-1-phenyltriazole-4-carboxamide
CID 109380676
N-(4-butylphenyl)-1-phenyltriazole-4-carboxamide
CID 46686096
2-methyl-2-[(1-phenyltriazole-4-carbonyl)amino]propanoic acid
CID 61261546

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-phenyltriazole-4-carboxamide (CID 56914942) is N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-phenyltriazole-4-carboxamide is CCc1cc(C(C)NC(=O)c2cn(-c3ccccc3)nn2)on1.
What is the InChIKey of N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-phenyltriazole-4-carboxamide?
The InChIKey is BERCKTCHQVLSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-3-12-9-15(23-19-12)11(2)17-16(22)14-10-21(20-18-14)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,17,22).
What are the key properties of N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-phenyltriazole-4-carboxamide?
N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-phenyltriazole-4-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 56914942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).