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

C14H13N5O2 — CID 124877934

IUPACN-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide
SMILESO=C(N[C@@H](Cn1nccn1)c1ccccc1)c1ccno1
InChIInChI=1S/C14H13N5O2/c20-14(13-6-7-17-21-13)18-12(10-19-15-8-9-16-19)11-4-2-1-3-5-11/h1-9,12H,10H2,(H,18,20)/t12-/m0/s1
InChIKeyVTVJBKBFHRFJQS-LBPRGKRZSA-N
MW283.29 g/mol
LogP1.44
Rot. Bonds5

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

N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide (PubChem CID 124877934) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide
PubChem CID124877934
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC NameN-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide
SMILESO=C(N[C@@H](Cn1nccn1)c1ccccc1)c1ccno1
InChIInChI=1S/C14H13N5O2/c20-14(13-6-7-17-21-13)18-12(10-19-15-8-9-16-19)11-4-2-1-3-5-11/h1-9,12H,10H2,(H,18,20)/t12-/m0/s1
InChIKeyVTVJBKBFHRFJQS-LBPRGKRZSA-N
XLogP1.44
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-phenyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 121176253
N-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide
CID 121176333
N-[1-phenyl-2-(triazol-2-yl)ethyl]pentanamide
CID 121176209
N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]-2-thiophen-3-ylacetamide
CID 124761273
N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide
CID 124891454
4-methyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]thiadiazole-5-carboxamide
CID 124876032
2-phenyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]triazole-4-carboxamide
CID 124759844
2-(6-oxopyridazin-1-yl)-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide
CID 124761044
N-[1-phenyl-2-(triazol-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 121176353
N-[1-phenyl-2-(triazol-2-yl)ethyl]-1H-indole-5-carboxamide
CID 119101650
3-(benzenesulfonyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide
CID 121176264
5-fluoro-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 121176322

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide (CID 124877934) is N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide is O=C(N[C@@H](Cn1nccn1)c1ccccc1)c1ccno1.
What is the InChIKey of N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is VTVJBKBFHRFJQS-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H13N5O2/c20-14(13-6-7-17-21-13)18-12(10-19-15-8-9-16-19)11-4-2-1-3-5-11/h1-9,12H,10H2,(H,18,20)/t12-/m0/s1.
What are the key properties of N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide?
N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 124877934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).