4-(3-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole

C15H17ClN2O — CID 115053994

IUPAC4-(3-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole
SMILESClc1cccc(-c2cnoc2CC2CCNCC2)c1
InChIInChI=1S/C15H17ClN2O/c16-13-3-1-2-12(9-13)14-10-18-19-15(14)8-11-4-6-17-7-5-11/h1-3,9-11,17H,4-8H2
InChIKeyNUWQWWLQPZXNLK-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.54
Rot. Bonds3

About 4-(3-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole

4-(3-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole (PubChem CID 115053994) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(3-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole
PubChem CID115053994
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-(3-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole
SMILESClc1cccc(-c2cnoc2CC2CCNCC2)c1
InChIInChI=1S/C15H17ClN2O/c16-13-3-1-2-12(9-13)14-10-18-19-15(14)8-11-4-6-17-7-5-11/h1-3,9-11,17H,4-8H2
InChIKeyNUWQWWLQPZXNLK-UHFFFAOYSA-N
XLogP3.54
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole?
The IUPAC name of 4-(3-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole (CID 115053994) is 4-(3-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 4-(3-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole?
The canonical SMILES for 4-(3-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole is Clc1cccc(-c2cnoc2CC2CCNCC2)c1.
What is the InChIKey of 4-(3-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole?
The InChIKey is NUWQWWLQPZXNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c16-13-3-1-2-12(9-13)14-10-18-19-15(14)8-11-4-6-17-7-5-11/h1-3,9-11,17H,4-8H2.
What are the key properties of 4-(3-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole?
4-(3-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole has a molecular weight of 276.77 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 115053994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).