2-[(S)-(3-chlorophenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole

C14H15ClN2O2 — CID 66752169

IUPAC2-[(S)-(3-chlorophenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole
SMILESClc1cccc(O[C@H](c2ncco2)[C@@H]2CCNC2)c1
InChIInChI=1S/C14H15ClN2O2/c15-11-2-1-3-12(8-11)19-13(10-4-5-16-9-10)14-17-6-7-18-14/h1-3,6-8,10,13,16H,4-5,9H2/t10-,13+/m1/s1
InChIKeyILOSHYUILXHJRZ-MFKMUULPSA-N
MW278.74 g/mol
LogP3.06
Rot. Bonds4

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

2-[(S)-(3-chlorophenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole (PubChem CID 66752169) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-[(S)-(3-chlorophenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(S)-(3-chlorophenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole
PubChem CID66752169
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name2-[(S)-(3-chlorophenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole
SMILESClc1cccc(O[C@H](c2ncco2)[C@@H]2CCNC2)c1
InChIInChI=1S/C14H15ClN2O2/c15-11-2-1-3-12(8-11)19-13(10-4-5-16-9-10)14-17-6-7-18-14/h1-3,6-8,10,13,16H,4-5,9H2/t10-,13+/m1/s1
InChIKeyILOSHYUILXHJRZ-MFKMUULPSA-N
XLogP3.06
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(S)-(3-chlorophenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-[(S)-(3-chlorophenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole (CID 66752169) is 2-[(S)-(3-chlorophenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-[(S)-(3-chlorophenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-[(S)-(3-chlorophenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole is Clc1cccc(O[C@H](c2ncco2)[C@@H]2CCNC2)c1.
What is the InChIKey of 2-[(S)-(3-chlorophenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole?
The InChIKey is ILOSHYUILXHJRZ-MFKMUULPSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-11-2-1-3-12(8-11)19-13(10-4-5-16-9-10)14-17-6-7-18-14/h1-3,6-8,10,13,16H,4-5,9H2/t10-,13+/m1/s1.
What are the key properties of 2-[(S)-(3-chlorophenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole?
2-[(S)-(3-chlorophenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole has a molecular weight of 278.74 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-(3-chlorophenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 66752169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).