3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide

C15H14N4O2 — CID 103856479

IUPAC3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccccc2)no1)c1cn[nH]c1
InChIInChI=1S/C15H14N4O2/c1-10(12-8-16-17-9-12)18-15(20)14-7-13(19-21-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,16,17)(H,18,20)
InChIKeyLLSVYXSFRBLOEY-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.56
Rot. Bonds4

About 3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide

3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide (PubChem CID 103856479) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide
PubChem CID103856479
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccccc2)no1)c1cn[nH]c1
InChIInChI=1S/C15H14N4O2/c1-10(12-8-16-17-9-12)18-15(20)14-7-13(19-21-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,16,17)(H,18,20)
InChIKeyLLSVYXSFRBLOEY-UHFFFAOYSA-N
XLogP2.56
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-carboxamide
CID 103855985
(2S)-3-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 61137160
4-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119188577
N-(1-hydroxybutan-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 43428096
2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103857029
N-[cyclopropyl-(4-methylphenyl)methyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 55668381
2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-4-carboxamide
CID 106218026
5-cyclopropyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 113339620
N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
CID 103856161
3-methyl-2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid
CID 119212192
3,6-dimethyl-2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]benzoic acid
CID 106208660
2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856631

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide (CID 103856479) is 3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide is CC(NC(=O)c1cc(-c2ccccc2)no1)c1cn[nH]c1.
What is the InChIKey of 3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is LLSVYXSFRBLOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-10(12-8-16-17-9-12)18-15(20)14-7-13(19-21-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,16,17)(H,18,20).
What are the key properties of 3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide?
3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 103856479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).