2-[(S)-(3-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole

C15H17ClN2O2 — CID 66752695

IUPAC2-[(S)-(3-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
SMILESCc1c(Cl)cccc1O[C@H](c1ncco1)C1CCNC1
InChIInChI=1S/C15H17ClN2O2/c1-10-12(16)3-2-4-13(10)20-14(11-5-6-17-9-11)15-18-7-8-19-15/h2-4,7-8,11,14,17H,5-6,9H2,1H3/t11?,14-/m0/s1
InChIKeyRMRVEKRPBBDOIM-IAXJKZSUSA-N
MW292.77 g/mol
LogP3.37
Rot. Bonds4

About 2-[(S)-(3-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole

2-[(S)-(3-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole (PubChem CID 66752695) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-[(S)-(3-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(S)-(3-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
PubChem CID66752695
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name2-[(S)-(3-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
SMILESCc1c(Cl)cccc1O[C@H](c1ncco1)C1CCNC1
InChIInChI=1S/C15H17ClN2O2/c1-10-12(16)3-2-4-13(10)20-14(11-5-6-17-9-11)15-18-7-8-19-15/h2-4,7-8,11,14,17H,5-6,9H2,1H3/t11?,14-/m0/s1
InChIKeyRMRVEKRPBBDOIM-IAXJKZSUSA-N
XLogP3.37
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(S)-(3-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole?
The IUPAC name of 2-[(S)-(3-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole (CID 66752695) is 2-[(S)-(3-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole.
What is the SMILES notation for 2-[(S)-(3-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole?
The canonical SMILES for 2-[(S)-(3-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole is Cc1c(Cl)cccc1O[C@H](c1ncco1)C1CCNC1.
What is the InChIKey of 2-[(S)-(3-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole?
The InChIKey is RMRVEKRPBBDOIM-IAXJKZSUSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-10-12(16)3-2-4-13(10)20-14(11-5-6-17-9-11)15-18-7-8-19-15/h2-4,7-8,11,14,17H,5-6,9H2,1H3/t11?,14-/m0/s1.
What are the key properties of 2-[(S)-(3-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole?
2-[(S)-(3-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole has a molecular weight of 292.77 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-(3-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole is sourced from PubChem (CID 66752695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).