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

C23H25ClN2O — CID 5029739

IUPAC3-(4-chlorophenyl)-4-methyl-5-[1-(2-phenylethyl)piperidin-4-yl]-1,2-oxazole
SMILESCc1c(-c2ccc(Cl)cc2)noc1C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H25ClN2O/c1-17-22(19-7-9-21(24)10-8-19)25-27-23(17)20-12-15-26(16-13-20)14-11-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3
InChIKeyCCWCGSVNRVVPNM-UHFFFAOYSA-N
MW380.92 g/mol
LogP5.73
Rot. Bonds5

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

3-(4-chlorophenyl)-4-methyl-5-[1-(2-phenylethyl)piperidin-4-yl]-1,2-oxazole (PubChem CID 5029739) 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-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-methyl-5-[1-(2-phenylethyl)piperidin-4-yl]-1,2-oxazole
PubChem CID5029739
Molecular FormulaC23H25ClN2O
Molecular Weight380.92 g/mol
Exact Mass380.17
IUPAC Name3-(4-chlorophenyl)-4-methyl-5-[1-(2-phenylethyl)piperidin-4-yl]-1,2-oxazole
SMILESCc1c(-c2ccc(Cl)cc2)noc1C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H25ClN2O/c1-17-22(19-7-9-21(24)10-8-19)25-27-23(17)20-12-15-26(16-13-20)14-11-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3
InChIKeyCCWCGSVNRVVPNM-UHFFFAOYSA-N
XLogP5.73
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 ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-methyl-5-[1-(2-phenylethyl)piperidin-4-yl]-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-4-methyl-5-[1-(2-phenylethyl)piperidin-4-yl]-1,2-oxazole (CID 5029739) is 3-(4-chlorophenyl)-4-methyl-5-[1-(2-phenylethyl)piperidin-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-4-methyl-5-[1-(2-phenylethyl)piperidin-4-yl]-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-4-methyl-5-[1-(2-phenylethyl)piperidin-4-yl]-1,2-oxazole is Cc1c(-c2ccc(Cl)cc2)noc1C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-4-methyl-5-[1-(2-phenylethyl)piperidin-4-yl]-1,2-oxazole?
The InChIKey is CCWCGSVNRVVPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O/c1-17-22(19-7-9-21(24)10-8-19)25-27-23(17)20-12-15-26(16-13-20)14-11-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-4-methyl-5-[1-(2-phenylethyl)piperidin-4-yl]-1,2-oxazole?
3-(4-chlorophenyl)-4-methyl-5-[1-(2-phenylethyl)piperidin-4-yl]-1,2-oxazole has a molecular weight of 380.92 g/mol, XLogP of 5.73, 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-4-yl]-1,2-oxazole is sourced from PubChem (CID 5029739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).