3-(2-chlorophenyl)-N-(4-cyano-1-methylpyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C15H12ClN5O2 — CID 3158091

IUPAC3-(2-chlorophenyl)-N-(4-cyano-1-methylpyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCn1ncc(C#N)c1NC(=O)C1CC(c2ccccc2Cl)=NO1
InChIInChI=1S/C15H12ClN5O2/c1-21-14(9(7-17)8-18-21)19-15(22)13-6-12(20-23-13)10-4-2-3-5-11(10)16/h2-5,8,13H,6H2,1H3,(H,19,22)
InChIKeyOBMDODZBSHAYHD-UHFFFAOYSA-N
MW329.75 g/mol
LogP2.08
Rot. Bonds3

About 3-(2-chlorophenyl)-N-(4-cyano-1-methylpyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(2-chlorophenyl)-N-(4-cyano-1-methylpyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3158091) has the molecular formula C15H12ClN5O2 and a molecular weight of 329.75 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(4-cyano-1-methylpyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(4-cyano-1-methylpyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3158091
Molecular FormulaC15H12ClN5O2
Molecular Weight329.75 g/mol
Exact Mass329.07
IUPAC Name3-(2-chlorophenyl)-N-(4-cyano-1-methylpyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCn1ncc(C#N)c1NC(=O)C1CC(c2ccccc2Cl)=NO1
InChIInChI=1S/C15H12ClN5O2/c1-21-14(9(7-17)8-18-21)19-15(22)13-6-12(20-23-13)10-4-2-3-5-11(10)16/h2-5,8,13H,6H2,1H3,(H,19,22)
InChIKeyOBMDODZBSHAYHD-UHFFFAOYSA-N
XLogP2.08
TPSA92.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methyl-1H-pyrazol-5-yl)-4,5-dihydro-5-isoxazolecarboxamide
CID 2962189
[3-(4-chlorophenyl)(4,5-dihydroisoxazol-5-yl)]-N-(4-cyano-1-methylpyrazol-5-yl)carboxamide
CID 3158127
N-(4-cyano-1-methyl-1H-pyrazol-5-yl)-3-(3,4-dichlorophenyl)-4,5-dihydro-5-isoxazolecarboxamide
CID 2962216
N-[1-(4-chlorobenzyl)-1H-pyrazol-3-yl]-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19489473
3-(2-chloro-6-fluorophenyl)-N-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19489595
3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491366
3-(4-Fluorophenyl)-N~5~-(1-methyl-1H-pyrazol-3-YL)-4,5-dihydro-5-isoxazolecarboxamide
CID 19493476
(5R)-3-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methylpyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1302159
(5S)-3-(2-chloro-6-fluorophenyl)-N-(4-cyano-1-methylpyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1302161
3-(2-chloro-6-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19489475
3-(2-chloro-6-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19489476
3-(2-chloro-6-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19489535

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(4-cyano-1-methylpyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(4-cyano-1-methylpyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3158091) is 3-(2-chlorophenyl)-N-(4-cyano-1-methylpyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(4-cyano-1-methylpyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(4-cyano-1-methylpyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is Cn1ncc(C#N)c1NC(=O)C1CC(c2ccccc2Cl)=NO1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(4-cyano-1-methylpyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is OBMDODZBSHAYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O2/c1-21-14(9(7-17)8-18-21)19-15(22)13-6-12(20-23-13)10-4-2-3-5-11(10)16/h2-5,8,13H,6H2,1H3,(H,19,22).
What are the key properties of 3-(2-chlorophenyl)-N-(4-cyano-1-methylpyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2-chlorophenyl)-N-(4-cyano-1-methylpyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 329.75 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(4-cyano-1-methylpyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3158091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).