5-phenyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide

C20H17N5O2 — CID 121176253

IUPAC5-phenyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC(Cn1nccn1)c1ccccc1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H17N5O2/c26-20(17-13-19(27-24-17)16-9-5-2-6-10-16)23-18(14-25-21-11-12-22-25)15-7-3-1-4-8-15/h1-13,18H,14H2,(H,23,26)
InChIKeyZLUXFPYLGZILDQ-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.10
Rot. Bonds6

About 5-phenyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide

5-phenyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 121176253) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 5-phenyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID121176253
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name5-phenyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC(Cn1nccn1)c1ccccc1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H17N5O2/c26-20(17-13-19(27-24-17)16-9-5-2-6-10-16)23-18(14-25-21-11-12-22-25)15-7-3-1-4-8-15/h1-13,18H,14H2,(H,23,26)
InChIKeyZLUXFPYLGZILDQ-UHFFFAOYSA-N
XLogP3.10
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 124877934
2-phenyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]triazole-4-carboxamide
CID 124759844
4-methyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]thiadiazole-5-carboxamide
CID 124876032
N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide
CID 124891454
N-pentan-2-yl-5-phenyl-1,2-oxazole-3-carboxamide
CID 133149969
N-[1-phenyl-2-(triazol-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 121176353
N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]-2-thiophen-3-ylacetamide
CID 124761273
N-(2-morpholin-4-yl-1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 45132972
N-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide
CID 121176333
5-fluoro-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 121176322
N-(1-aminoprop-2-enyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 118877210
3-cyclopropyl-3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 75429233

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-phenyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 121176253) is 5-phenyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-phenyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide is O=C(NC(Cn1nccn1)c1ccccc1)c1cc(-c2ccccc2)on1.
What is the InChIKey of 5-phenyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is ZLUXFPYLGZILDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c26-20(17-13-19(27-24-17)16-9-5-2-6-10-16)23-18(14-25-21-11-12-22-25)15-7-3-1-4-8-15/h1-13,18H,14H2,(H,23,26).
What are the key properties of 5-phenyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-phenyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 121176253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).