N-(2-cyclohexylpyrazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C20H22N4O2 — CID 2095823

IUPACN-(2-cyclohexylpyrazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C20H22N4O2/c1-14-18(19(23-26-14)15-8-4-2-5-9-15)20(25)22-17-12-13-21-24(17)16-10-6-3-7-11-16/h2,4-5,8-9,12-13,16H,3,6-7,10-11H2,1H3,(H,22,25)
InChIKeyBUTHITKWPVSBFS-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.60
Rot. Bonds4

About N-(2-cyclohexylpyrazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-(2-cyclohexylpyrazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 2095823) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(2-cyclohexylpyrazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexylpyrazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID2095823
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-(2-cyclohexylpyrazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C20H22N4O2/c1-14-18(19(23-26-14)15-8-4-2-5-9-15)20(25)22-17-12-13-21-24(17)16-10-6-3-7-11-16/h2,4-5,8-9,12-13,16H,3,6-7,10-11H2,1H3,(H,22,25)
InChIKeyBUTHITKWPVSBFS-UHFFFAOYSA-N
XLogP4.60
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-5-methyl-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]isoxazole-4-carboxamide
CID 3241026
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CID 2818764
5-methyl-3-phenyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole
CID 757862
5-Amino-3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 137632798
N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-5-phenyl-3-isoxazolecarboxamide
CID 1253408
N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide
CID 3242754
5-(4-fluorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]isoxazole-3-carboxamide
CID 3244953
5-isopropyl-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-3-isoxazolecarboxamide
CID 5308341
(5-methylisoxazol-3-yl)-N-{1-[(4-methylphenyl)methyl]pyrazol-3-yl}carboxamide
CID 9551033
5-Amino-3-(5-phenyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazole-4-carboxamide
CID 137633642
5-Amino-3-(5-ethyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazole-4-carboxamide
CID 137648368
5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propan-2-ylpyrazole-1-carboxamide
CID 2745595

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 2095823) is N-(2-cyclohexylpyrazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-cyclohexylpyrazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-cyclohexylpyrazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1ccnn1C1CCCCC1.
What is the InChIKey of N-(2-cyclohexylpyrazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is BUTHITKWPVSBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-18(19(23-26-14)15-8-4-2-5-9-15)20(25)22-17-12-13-21-24(17)16-10-6-3-7-11-16/h2,4-5,8-9,12-13,16H,3,6-7,10-11H2,1H3,(H,22,25).
What are the key properties of N-(2-cyclohexylpyrazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-(2-cyclohexylpyrazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylpyrazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2095823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).