N-[4-(4-cyclohexylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide

C21H26N4O3 — CID 90515048

IUPACN-[4-(4-cyclohexylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide
SMILESO=C(Nc1nc(C(=O)N2CCN(C3CCCCC3)CC2)co1)c1ccccc1
InChIInChI=1S/C21H26N4O3/c26-19(16-7-3-1-4-8-16)23-21-22-18(15-28-21)20(27)25-13-11-24(12-14-25)17-9-5-2-6-10-17/h1,3-4,7-8,15,17H,2,5-6,9-14H2,(H,22,23,26)
InChIKeySDAZDTHQCOCTLL-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.02
Rot. Bonds4

About N-[4-(4-cyclohexylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide

N-[4-(4-cyclohexylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide (PubChem CID 90515048) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[4-(4-cyclohexylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(4-cyclohexylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide
PubChem CID90515048
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[4-(4-cyclohexylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide
SMILESO=C(Nc1nc(C(=O)N2CCN(C3CCCCC3)CC2)co1)c1ccccc1
InChIInChI=1S/C21H26N4O3/c26-19(16-7-3-1-4-8-16)23-21-22-18(15-28-21)20(27)25-13-11-24(12-14-25)17-9-5-2-6-10-17/h1,3-4,7-8,15,17H,2,5-6,9-14H2,(H,22,23,26)
InChIKeySDAZDTHQCOCTLL-UHFFFAOYSA-N
XLogP3.02
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide
CID 90514908
2-benzamido-N-cyclohexyl-1,3-oxazole-4-carboxamide
CID 90514925
N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide
CID 90515030
N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 24794158
(4-cyclohexylpiperazin-1-yl)-[2-[[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 42856031
N-cycloheptyl-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide
CID 72717053
N-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]cyclopropanecarboxamide
CID 56765140
N-[4-(4-methylsulfonylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]furan-2-carboxamide
CID 52907954
N-(2-cyclohexylpyrazol-3-yl)benzamide
CID 51145839
2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxylic acid
CID 91669614
2-(4-cyclopentylpiperazin-1-yl)-1,3-oxazole-4-carboxylic acid
CID 113377261
N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]cyclopropanecarboxamide
CID 121110608

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclohexylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-[4-(4-cyclohexylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide (CID 90515048) is N-[4-(4-cyclohexylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-[4-(4-cyclohexylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-[4-(4-cyclohexylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide is O=C(Nc1nc(C(=O)N2CCN(C3CCCCC3)CC2)co1)c1ccccc1.
What is the InChIKey of N-[4-(4-cyclohexylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide?
The InChIKey is SDAZDTHQCOCTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c26-19(16-7-3-1-4-8-16)23-21-22-18(15-28-21)20(27)25-13-11-24(12-14-25)17-9-5-2-6-10-17/h1,3-4,7-8,15,17H,2,5-6,9-14H2,(H,22,23,26).
What are the key properties of N-[4-(4-cyclohexylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide?
N-[4-(4-cyclohexylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide has a molecular weight of 382.46 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclohexylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 90515048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).