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

C17H20N4O2 — CID 46963921

IUPAC5-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide
SMILESCc1ccn(CCNC(=O)C2(C)CC(c3ccccc3)=NO2)n1
InChIInChI=1S/C17H20N4O2/c1-13-8-10-21(19-13)11-9-18-16(22)17(2)12-15(20-23-17)14-6-4-3-5-7-14/h3-8,10H,9,11-12H2,1-2H3,(H,18,22)
InChIKeyZVHAGFDNWNHHQV-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.89
Rot. Bonds5

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

5-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 46963921) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide
PubChem CID46963921
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name5-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide
SMILESCc1ccn(CCNC(=O)C2(C)CC(c3ccccc3)=NO2)n1
InChIInChI=1S/C17H20N4O2/c1-13-8-10-21(19-13)11-9-18-16(22)17(2)12-15(20-23-17)14-6-4-3-5-7-14/h3-8,10H,9,11-12H2,1-2H3,(H,18,22)
InChIKeyZVHAGFDNWNHHQV-UHFFFAOYSA-N
XLogP1.89
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-bromophenyl)-N-(1-propyl-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxamide
CID 2962251
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CID 72195320
N-hydroxy-5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pentanamide
CID 118714373
5-(1-benzyl-4-methylpyrazol-3-yl)-N-hydroxypentanamide
CID 118714383
N-(3-acetylphenyl)-3-(1-ethyl-3-methyl-4-pyrazolyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3236329
N-benzyl-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxamide
CID 3241275
3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3242359
3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 5307827
N-(3-acetylphenyl)-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxamide
CID 3243681
N-[2-(3-phenylpyrazol-1-yl)ethyl]cyclopentanecarboxamide
CID 123225257
Ispa-28
CID 17095977
3-(3-bromophenyl)-N-(1-isopropyl-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxamide
CID 3158076

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of 5-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide (CID 46963921) is 5-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide is Cc1ccn(CCNC(=O)C2(C)CC(c3ccccc3)=NO2)n1.
What is the InChIKey of 5-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is ZVHAGFDNWNHHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-13-8-10-21(19-13)11-9-18-16(22)17(2)12-15(20-23-17)14-6-4-3-5-7-14/h3-8,10H,9,11-12H2,1-2H3,(H,18,22).
What are the key properties of 5-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide?
5-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46963921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).