3-(4-chlorophenyl)-4-methyl-5-[1-(2-phenylethyl)piperidin-2-yl]-1,2-oxazole

C23H25ClN2O — CID 54554145

IUPAC3-(4-chlorophenyl)-4-methyl-5-[1-(2-phenylethyl)piperidin-2-yl]-1,2-oxazole
SMILESCc1c(-c2ccc(Cl)cc2)noc1C1CCCCN1CCc1ccccc1
InChIInChI=1S/C23H25ClN2O/c1-17-22(19-10-12-20(24)13-11-19)25-27-23(17)21-9-5-6-15-26(21)16-14-18-7-3-2-4-8-18/h2-4,7-8,10-13,21H,5-6,9,14-16H2,1H3
InChIKeyZLZFSBALAIIERI-UHFFFAOYSA-N
MW380.92 g/mol
LogP6.07
Rot. Bonds5

About 3-(4-chlorophenyl)-4-methyl-5-[1-(2-phenylethyl)piperidin-2-yl]-1,2-oxazole

3-(4-chlorophenyl)-4-methyl-5-[1-(2-phenylethyl)piperidin-2-yl]-1,2-oxazole (PubChem CID 54554145) has the molecular formula C23H25ClN2O and a molecular weight of 380.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-methyl-5-[1-(2-phenylethyl)piperidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-methyl-5-[1-(2-phenylethyl)piperidin-2-yl]-1,2-oxazole
PubChem CID54554145
Molecular FormulaC23H25ClN2O
Molecular Weight380.92 g/mol
Exact Mass380.17
IUPAC Name3-(4-chlorophenyl)-4-methyl-5-[1-(2-phenylethyl)piperidin-2-yl]-1,2-oxazole
SMILESCc1c(-c2ccc(Cl)cc2)noc1C1CCCCN1CCc1ccccc1
InChIInChI=1S/C23H25ClN2O/c1-17-22(19-10-12-20(24)13-11-19)25-27-23(17)21-9-5-6-15-26(21)16-14-18-7-3-2-4-8-18/h2-4,7-8,10-13,21H,5-6,9,14-16H2,1H3
InChIKeyZLZFSBALAIIERI-UHFFFAOYSA-N
XLogP6.07
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.92
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95051321
2-(2-chloroethyl)-1-(2-phenylethyl)piperidine
CID 63387052
(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylethyl)morpholine
CID 97344608
6-chloro-3-[1-(2-phenylethyl)piperidin-4-yl]-4H-indeno[1,2-c][1,2]oxazole
CID 102339944
dimethoxy-methyl-[1-(2-phenylethyl)azepan-2-yl]silane
CID 21024225
1-[1-(2-phenylethyl)azepan-2-yl]propan-2-ol
CID 114338750
trimethoxy-[1-(2-phenylethyl)-azacycloundec-2-yl]silane
CID 21024256
(2R)-N-benzyl-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7301605
[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
CID 26457952
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione
CID 156590149
5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 53191859
1-oxido-4-[2-(2-phenylpiperidin-1-yl)ethyl]pyridin-1-ium
CID 67792728

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-methyl-5-[1-(2-phenylethyl)piperidin-2-yl]-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-4-methyl-5-[1-(2-phenylethyl)piperidin-2-yl]-1,2-oxazole (CID 54554145) is 3-(4-chlorophenyl)-4-methyl-5-[1-(2-phenylethyl)piperidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-4-methyl-5-[1-(2-phenylethyl)piperidin-2-yl]-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-4-methyl-5-[1-(2-phenylethyl)piperidin-2-yl]-1,2-oxazole is Cc1c(-c2ccc(Cl)cc2)noc1C1CCCCN1CCc1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-methyl-5-[1-(2-phenylethyl)piperidin-2-yl]-1,2-oxazole?
The InChIKey is ZLZFSBALAIIERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O/c1-17-22(19-10-12-20(24)13-11-19)25-27-23(17)21-9-5-6-15-26(21)16-14-18-7-3-2-4-8-18/h2-4,7-8,10-13,21H,5-6,9,14-16H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-4-methyl-5-[1-(2-phenylethyl)piperidin-2-yl]-1,2-oxazole?
3-(4-chlorophenyl)-4-methyl-5-[1-(2-phenylethyl)piperidin-2-yl]-1,2-oxazole has a molecular weight of 380.92 g/mol, XLogP of 6.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-methyl-5-[1-(2-phenylethyl)piperidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 54554145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).