3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-cyclohexylpyrazole-1-carboxamide

C20H21ClN4O2 — CID 11963286

IUPAC3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-cyclohexylpyrazole-1-carboxamide
SMILESCc1onc(-c2ccc(Cl)cc2)c1-c1ccn(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C20H21ClN4O2/c1-13-18(19(24-27-13)14-7-9-15(21)10-8-14)17-11-12-25(23-17)20(26)22-16-5-3-2-4-6-16/h7-12,16H,2-6H2,1H3,(H,22,26)
InChIKeyGEDRKPPVUHHHDN-UHFFFAOYSA-N
MW384.87 g/mol
LogP5.06
Rot. Bonds3

About 3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-cyclohexylpyrazole-1-carboxamide

3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-cyclohexylpyrazole-1-carboxamide (PubChem CID 11963286) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-cyclohexylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-cyclohexylpyrazole-1-carboxamide
PubChem CID11963286
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-cyclohexylpyrazole-1-carboxamide
SMILESCc1onc(-c2ccc(Cl)cc2)c1-c1ccn(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C20H21ClN4O2/c1-13-18(19(24-27-13)14-7-9-15(21)10-8-14)17-11-12-25(23-17)20(26)22-16-5-3-2-4-6-16/h7-12,16H,2-6H2,1H3,(H,22,26)
InChIKeyGEDRKPPVUHHHDN-UHFFFAOYSA-N
XLogP5.06
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.87
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylpyrazole-1-carboxamide
CID 11963244
1-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-cyclohexylpyrazol-1-ium-1-carboxamide
CID 69208308
3-(4-chlorophenyl)-N-cyclohexyl-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide
CID 163091019
3-(4-chlorophenyl)-4-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-5-methyl-1,2-oxazole
CID 141106811
1-[3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-methylpyrazol-1-yl]-2-methylpropan-1-one
CID 58752275
4-(4-chlorophenyl)-N-cyclohexyl-5-(2,4-dichlorophenyl)triazole-2-carboxamide
CID 44571382
3-(4-chlorophenyl)-N-cyclopentyl-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide
CID 162800200
3-(4-chlorophenyl)-N-cyclohexyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
CID 108780445
5-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-ylpyrazole-1-carboxamide
CID 2745572
N-cyclobutyl-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 24739145
5-(4-chlorophenyl)-N-cyclohexyl-1,2-oxazole-3-carboxamide
CID 17252724
1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-cyclohexylurea
CID 112503079

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-cyclohexylpyrazole-1-carboxamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-cyclohexylpyrazole-1-carboxamide (CID 11963286) is 3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-cyclohexylpyrazole-1-carboxamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-cyclohexylpyrazole-1-carboxamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-cyclohexylpyrazole-1-carboxamide is Cc1onc(-c2ccc(Cl)cc2)c1-c1ccn(C(=O)NC2CCCCC2)n1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-cyclohexylpyrazole-1-carboxamide?
The InChIKey is GEDRKPPVUHHHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-13-18(19(24-27-13)14-7-9-15(21)10-8-14)17-11-12-25(23-17)20(26)22-16-5-3-2-4-6-16/h7-12,16H,2-6H2,1H3,(H,22,26).
What are the key properties of 3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-cyclohexylpyrazole-1-carboxamide?
3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-cyclohexylpyrazole-1-carboxamide has a molecular weight of 384.87 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-cyclohexylpyrazole-1-carboxamide is sourced from PubChem (CID 11963286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).