[1-[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-phenylmethanone

C22H19ClN2O3 — CID 24682971

IUPAC[1-[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1
InChIInChI=1S/C22H19ClN2O3/c23-18-8-6-15(7-9-18)20-14-19(24-28-20)22(27)25-12-10-17(11-13-25)21(26)16-4-2-1-3-5-16/h1-9,14,17H,10-13H2
InChIKeyMQQYXNBNKHTJGP-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.73
Rot. Bonds4

About [1-[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-phenylmethanone

[1-[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-phenylmethanone (PubChem CID 24682971) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is [1-[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-phenylmethanone
PubChem CID24682971
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Name[1-[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1
InChIInChI=1S/C22H19ClN2O3/c23-18-8-6-15(7-9-18)20-14-19(24-28-20)22(27)25-12-10-17(11-13-25)21(26)16-4-2-1-3-5-16/h1-9,14,17H,10-13H2
InChIKeyMQQYXNBNKHTJGP-UHFFFAOYSA-N
XLogP4.73
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-phenylmethanone 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 [1-[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-phenylmethanone (CID 24682971) is [1-[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-phenylmethanone is O=C(c1ccccc1)C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1.
What is the InChIKey of [1-[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-phenylmethanone?
The InChIKey is MQQYXNBNKHTJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c23-18-8-6-15(7-9-18)20-14-19(24-28-20)22(27)25-12-10-17(11-13-25)21(26)16-4-2-1-3-5-16/h1-9,14,17H,10-13H2.
What are the key properties of [1-[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-phenylmethanone?
[1-[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-phenylmethanone has a molecular weight of 394.86 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 24682971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).