2-[(S)-(4-chloro-2-cyclohexylphenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole

C20H25ClN2O2 — CID 66752330

IUPAC2-[(S)-(4-chloro-2-cyclohexylphenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole
SMILESClc1ccc(O[C@H](c2ncco2)[C@@H]2CCNC2)c(C2CCCCC2)c1
InChIInChI=1S/C20H25ClN2O2/c21-16-6-7-18(17(12-16)14-4-2-1-3-5-14)25-19(15-8-9-22-13-15)20-23-10-11-24-20/h6-7,10-12,14-15,19,22H,1-5,8-9,13H2/t15-,19+/m1/s1
InChIKeyOECISIDXNDGIGS-BEFAXECRSA-N
MW360.88 g/mol
LogP5.11
Rot. Bonds5

About 2-[(S)-(4-chloro-2-cyclohexylphenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole

2-[(S)-(4-chloro-2-cyclohexylphenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole (PubChem CID 66752330) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.88 g/mol. Its IUPAC name is 2-[(S)-(4-chloro-2-cyclohexylphenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(S)-(4-chloro-2-cyclohexylphenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole
PubChem CID66752330
Molecular FormulaC20H25ClN2O2
Molecular Weight360.88 g/mol
Exact Mass360.16
IUPAC Name2-[(S)-(4-chloro-2-cyclohexylphenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole
SMILESClc1ccc(O[C@H](c2ncco2)[C@@H]2CCNC2)c(C2CCCCC2)c1
InChIInChI=1S/C20H25ClN2O2/c21-16-6-7-18(17(12-16)14-4-2-1-3-5-14)25-19(15-8-9-22-13-15)20-23-10-11-24-20/h6-7,10-12,14-15,19,22H,1-5,8-9,13H2/t15-,19+/m1/s1
InChIKeyOECISIDXNDGIGS-BEFAXECRSA-N
XLogP5.11
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.88
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(S)-(4-chloro-2-cyclohexylphenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-(4-chloro-2-cyclohexylphenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-[(S)-(4-chloro-2-cyclohexylphenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole (CID 66752330) is 2-[(S)-(4-chloro-2-cyclohexylphenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-[(S)-(4-chloro-2-cyclohexylphenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-[(S)-(4-chloro-2-cyclohexylphenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole is Clc1ccc(O[C@H](c2ncco2)[C@@H]2CCNC2)c(C2CCCCC2)c1.
What is the InChIKey of 2-[(S)-(4-chloro-2-cyclohexylphenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole?
The InChIKey is OECISIDXNDGIGS-BEFAXECRSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c21-16-6-7-18(17(12-16)14-4-2-1-3-5-14)25-19(15-8-9-22-13-15)20-23-10-11-24-20/h6-7,10-12,14-15,19,22H,1-5,8-9,13H2/t15-,19+/m1/s1.
What are the key properties of 2-[(S)-(4-chloro-2-cyclohexylphenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole?
2-[(S)-(4-chloro-2-cyclohexylphenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole has a molecular weight of 360.88 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-(4-chloro-2-cyclohexylphenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 66752330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).