2-[4-[[2-(2-chlorophenyl)-1,3-oxazol-5-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

C24H35ClN4O2 — CID 70789642

IUPAC2-[4-[[2-(2-chlorophenyl)-1,3-oxazol-5-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCC(C)N1CCC(N2CCN(Cc3cnc(-c4ccccc4Cl)o3)CC2CCO)CC1
InChIInChI=1S/C24H35ClN4O2/c1-18(2)28-10-7-19(8-11-28)29-13-12-27(16-20(29)9-14-30)17-21-15-26-24(31-21)22-5-3-4-6-23(22)25/h3-6,15,18-20,30H,7-14,16-17H2,1-2H3
InChIKeyPYGYSSWMMPISBT-UHFFFAOYSA-N
MW447.02 g/mol
LogP3.74
Rot. Bonds7

About 2-[4-[[2-(2-chlorophenyl)-1,3-oxazol-5-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

2-[4-[[2-(2-chlorophenyl)-1,3-oxazol-5-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (PubChem CID 70789642) has the molecular formula C24H35ClN4O2 and a molecular weight of 447.02 g/mol. Its IUPAC name is 2-[4-[[2-(2-chlorophenyl)-1,3-oxazol-5-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-(2-chlorophenyl)-1,3-oxazol-5-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
PubChem CID70789642
Molecular FormulaC24H35ClN4O2
Molecular Weight447.02 g/mol
Exact Mass446.24
IUPAC Name2-[4-[[2-(2-chlorophenyl)-1,3-oxazol-5-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCC(C)N1CCC(N2CCN(Cc3cnc(-c4ccccc4Cl)o3)CC2CCO)CC1
InChIInChI=1S/C24H35ClN4O2/c1-18(2)28-10-7-19(8-11-28)29-13-12-27(16-20(29)9-14-30)17-21-15-26-24(31-21)22-5-3-4-6-23(22)25/h3-6,15,18-20,30H,7-14,16-17H2,1-2H3
InChIKeyPYGYSSWMMPISBT-UHFFFAOYSA-N
XLogP3.74
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.02
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2-chlorophenyl)-1,3-oxazol-5-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[[2-(2-chlorophenyl)-1,3-oxazol-5-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (CID 70789642) is 2-[4-[[2-(2-chlorophenyl)-1,3-oxazol-5-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[[2-(2-chlorophenyl)-1,3-oxazol-5-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[[2-(2-chlorophenyl)-1,3-oxazol-5-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is CC(C)N1CCC(N2CCN(Cc3cnc(-c4ccccc4Cl)o3)CC2CCO)CC1.
What is the InChIKey of 2-[4-[[2-(2-chlorophenyl)-1,3-oxazol-5-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The InChIKey is PYGYSSWMMPISBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35ClN4O2/c1-18(2)28-10-7-19(8-11-28)29-13-12-27(16-20(29)9-14-30)17-21-15-26-24(31-21)22-5-3-4-6-23(22)25/h3-6,15,18-20,30H,7-14,16-17H2,1-2H3.
What are the key properties of 2-[4-[[2-(2-chlorophenyl)-1,3-oxazol-5-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
2-[4-[[2-(2-chlorophenyl)-1,3-oxazol-5-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol has a molecular weight of 447.02 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2-chlorophenyl)-1,3-oxazol-5-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 70789642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).