2-(3-chlorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,3-oxazole

C14H15ClN2O — CID 82666482

IUPAC2-(3-chlorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,3-oxazole
SMILESClc1cccc(-c2ncc(CC3CCNC3)o2)c1
InChIInChI=1S/C14H15ClN2O/c15-12-3-1-2-11(7-12)14-17-9-13(18-14)6-10-4-5-16-8-10/h1-3,7,9-10,16H,4-6,8H2
InChIKeyILTMJOQKHQIIGU-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.15
Rot. Bonds3

About 2-(3-chlorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,3-oxazole

2-(3-chlorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,3-oxazole (PubChem CID 82666482) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,3-oxazole
PubChem CID82666482
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name2-(3-chlorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,3-oxazole
SMILESClc1cccc(-c2ncc(CC3CCNC3)o2)c1
InChIInChI=1S/C14H15ClN2O/c15-12-3-1-2-11(7-12)14-17-9-13(18-14)6-10-4-5-16-8-10/h1-3,7,9-10,16H,4-6,8H2
InChIKeyILTMJOQKHQIIGU-UHFFFAOYSA-N
XLogP3.15
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,3-oxazole?
The IUPAC name of 2-(3-chlorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,3-oxazole (CID 82666482) is 2-(3-chlorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 2-(3-chlorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,3-oxazole?
The canonical SMILES for 2-(3-chlorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,3-oxazole is Clc1cccc(-c2ncc(CC3CCNC3)o2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,3-oxazole?
The InChIKey is ILTMJOQKHQIIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-12-3-1-2-11(7-12)14-17-9-13(18-14)6-10-4-5-16-8-10/h1-3,7,9-10,16H,4-6,8H2.
What are the key properties of 2-(3-chlorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,3-oxazole?
2-(3-chlorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,3-oxazole has a molecular weight of 262.74 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 82666482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).