(5-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone

C20H19N3O2 — CID 110689240

IUPAC(5-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ncoc1-c1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H19N3O2/c24-20(18-19(25-15-21-18)16-7-3-1-4-8-16)23-13-11-22(12-14-23)17-9-5-2-6-10-17/h1-10,15H,11-14H2
InChIKeyXMRSKWDFCWUJQV-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.30
Rot. Bonds3

About (5-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone

(5-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 110689240) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID110689240
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(5-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ncoc1-c1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H19N3O2/c24-20(18-19(25-15-21-18)16-7-3-1-4-8-16)23-13-11-22(12-14-23)17-9-5-2-6-10-17/h1-10,15H,11-14H2
InChIKeyXMRSKWDFCWUJQV-UHFFFAOYSA-N
XLogP3.30
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone
CID 11360631
azepan-1-yl-[2-[4-(4-phenylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
CID 53122960
5-phenyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 110689293
[4-(2-methoxyethyl)piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone
CID 16674237
(5-methyl-2-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9112756
[4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone
CID 97316304
[5-(4-fluorophenyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 110244642
(2-methyl-5-phenyl-1,3-thiazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110648662
(2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone
CID 96588033
1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 7595065
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051557

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (5-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone (CID 110689240) is (5-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (5-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone is O=C(c1ncoc1-c1ccccc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (5-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is XMRSKWDFCWUJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20(18-19(25-15-21-18)16-7-3-1-4-8-16)23-13-11-22(12-14-23)17-9-5-2-6-10-17/h1-10,15H,11-14H2.
What are the key properties of (5-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone?
(5-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 333.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 110689240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).