[4-[3-(1,2-oxazol-3-yl)phenyl]phenyl]-piperazin-1-ylmethanone

C20H19N3O2 — CID 151156326

IUPAC[4-[3-(1,2-oxazol-3-yl)phenyl]phenyl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(-c2cccc(-c3ccon3)c2)cc1)N1CCNCC1
InChIInChI=1S/C20H19N3O2/c24-20(23-11-9-21-10-12-23)16-6-4-15(5-7-16)17-2-1-3-18(14-17)19-8-13-25-22-19/h1-8,13-14,21H,9-12H2
InChIKeyMZHXRFLOJSIXKJ-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.05
Rot. Bonds3

About [4-[3-(1,2-oxazol-3-yl)phenyl]phenyl]-piperazin-1-ylmethanone

[4-[3-(1,2-oxazol-3-yl)phenyl]phenyl]-piperazin-1-ylmethanone (PubChem CID 151156326) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is [4-[3-(1,2-oxazol-3-yl)phenyl]phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-[3-(1,2-oxazol-3-yl)phenyl]phenyl]-piperazin-1-ylmethanone
PubChem CID151156326
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name[4-[3-(1,2-oxazol-3-yl)phenyl]phenyl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(-c2cccc(-c3ccon3)c2)cc1)N1CCNCC1
InChIInChI=1S/C20H19N3O2/c24-20(23-11-9-21-10-12-23)16-6-4-15(5-7-16)17-2-1-3-18(14-17)19-8-13-25-22-19/h1-8,13-14,21H,9-12H2
InChIKeyMZHXRFLOJSIXKJ-UHFFFAOYSA-N
XLogP3.05
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-phenylphenyl)-piperazin-1-ylmethanone
CID 5345551
azepan-1-yl-[4-(3-piperazin-1-ylphenyl)phenyl]methanone;hydrochloride
CID 154909425
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
piperazin-1-yl-(3-thiophen-2-ylphenyl)methanone
CID 39371882
ethane;[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-piperazin-1-ylmethanone
CID 143900231
1-[4-(piperazine-1-carbonyl)phenyl]ethanone
CID 82510195
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
5-[4-(piperazine-1-carbonyl)phenyl]-N-pyridin-4-yl-1H-indazole-3-carboxamide
CID 156501650
3,5-bis(piperazine-1-carbonyl)benzoic acid
CID 90342459
(3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400113
[3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-piperazin-1-ylmethanone
CID 141325162
[3-[4-(5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone
CID 141199773

Frequently Asked Questions

What is the IUPAC name of [4-[3-(1,2-oxazol-3-yl)phenyl]phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [4-[3-(1,2-oxazol-3-yl)phenyl]phenyl]-piperazin-1-ylmethanone (CID 151156326) is [4-[3-(1,2-oxazol-3-yl)phenyl]phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-[3-(1,2-oxazol-3-yl)phenyl]phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-[3-(1,2-oxazol-3-yl)phenyl]phenyl]-piperazin-1-ylmethanone is O=C(c1ccc(-c2cccc(-c3ccon3)c2)cc1)N1CCNCC1.
What is the InChIKey of [4-[3-(1,2-oxazol-3-yl)phenyl]phenyl]-piperazin-1-ylmethanone?
The InChIKey is MZHXRFLOJSIXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20(23-11-9-21-10-12-23)16-6-4-15(5-7-16)17-2-1-3-18(14-17)19-8-13-25-22-19/h1-8,13-14,21H,9-12H2.
What are the key properties of [4-[3-(1,2-oxazol-3-yl)phenyl]phenyl]-piperazin-1-ylmethanone?
[4-[3-(1,2-oxazol-3-yl)phenyl]phenyl]-piperazin-1-ylmethanone has a molecular weight of 333.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1,2-oxazol-3-yl)phenyl]phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 151156326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).