[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-phenylpiperazin-1-yl)methanone

C20H18ClN3O2 — CID 17252726

IUPAC[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H18ClN3O2/c21-16-8-6-15(7-9-16)19-14-18(22-26-19)20(25)24-12-10-23(11-13-24)17-4-2-1-3-5-17/h1-9,14H,10-13H2
InChIKeySYCMADLJHACAOW-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.96
Rot. Bonds3

About [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-phenylpiperazin-1-yl)methanone

[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 17252726) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID17252726
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H18ClN3O2/c21-16-8-6-15(7-9-16)19-14-18(22-26-19)20(25)24-12-10-23(11-13-24)17-4-2-1-3-5-17/h1-9,14H,10-13H2
InChIKeySYCMADLJHACAOW-UHFFFAOYSA-N
XLogP3.96
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

L 741742
CID 133008
5-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 3243805
Azepan-1-yl-(5-phenyl-isoxazol-3-yl)-methanone
CID 1093742
N-cyclopentyl-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 1093826
Azepan-1-yl-[5-(2,4-dichloro-phenyl)-isoxazol-3-yl]-methanone
CID 1093827
5-(2-chlorophenyl)-N-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 1093850
5-(2-chlorophenyl)-N-cyclohexyl-3-isoxazolecarboxamide
CID 1093865
5-(2-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 1093869
5-(4-chlorophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
CID 6619223
5-(3-chlorophenyl)-N-cyclopentyl-3-isoxazolecarboxamide
CID 15993274
5-Phenylisoxazol-3-yl 4-phenylpiperazinyl ketone
CID 1250455
5-benzyl-N-[(3S)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide
CID 127033642

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-phenylpiperazin-1-yl)methanone (CID 17252726) is [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is SYCMADLJHACAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-16-8-6-15(7-9-16)19-14-18(22-26-19)20(25)24-12-10-23(11-13-24)17-4-2-1-3-5-17/h1-9,14H,10-13H2.
What are the key properties of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-phenylpiperazin-1-yl)methanone?
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 367.84 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 17252726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).