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

C17H22ClN3O2 — CID 97226785

IUPAC(2R)-2-(3-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanol
SMILESCc1cnc(CN2CCN([C@@H](CO)c3cccc(Cl)c3)CC2)o1
InChIInChI=1S/C17H22ClN3O2/c1-13-10-19-17(23-13)11-20-5-7-21(8-6-20)16(12-22)14-3-2-4-15(18)9-14/h2-4,9-10,16,22H,5-8,11-12H2,1H3/t16-/m0/s1
InChIKeyGHCCEVFAHNKZCH-INIZCTEOSA-N
MW335.84 g/mol
LogP2.49
Rot. Bonds5

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

(2R)-2-(3-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanol (PubChem CID 97226785) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanol
PubChem CID97226785
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name(2R)-2-(3-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanol
SMILESCc1cnc(CN2CCN([C@@H](CO)c3cccc(Cl)c3)CC2)o1
InChIInChI=1S/C17H22ClN3O2/c1-13-10-19-17(23-13)11-20-5-7-21(8-6-20)16(12-22)14-3-2-4-15(18)9-14/h2-4,9-10,16,22H,5-8,11-12H2,1H3/t16-/m0/s1
InChIKeyGHCCEVFAHNKZCH-INIZCTEOSA-N
XLogP2.49
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(3-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanol with MolForge

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Related Compounds

(2R)-2-(3-chlorophenyl)-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 97226783
2-(4-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 86789406
2-(4-chlorophenoxy)-1-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 71989109
5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
CID 22762631
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 120770952
1-[2-chloro-1-(3-chlorophenyl)ethyl]piperidine
CID 82089462
5-(3-chlorophenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 78808140
5-(3-chlorophenyl)-2-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazole
CID 60500597
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 55658747
(2S)-2-(3-chlorophenyl)-2-hydroxy-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone
CID 95881067
4-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-2-one
CID 82131677
2-[[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole
CID 97240829

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of (2R)-2-(3-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanol (CID 97226785) is (2R)-2-(3-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for (2R)-2-(3-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for (2R)-2-(3-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanol is Cc1cnc(CN2CCN([C@@H](CO)c3cccc(Cl)c3)CC2)o1.
What is the InChIKey of (2R)-2-(3-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanol?
The InChIKey is GHCCEVFAHNKZCH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-13-10-19-17(23-13)11-20-5-7-21(8-6-20)16(12-22)14-3-2-4-15(18)9-14/h2-4,9-10,16,22H,5-8,11-12H2,1H3/t16-/m0/s1.
What are the key properties of (2R)-2-(3-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanol?
(2R)-2-(3-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanol has a molecular weight of 335.84 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 97226785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).