7-[4-(3-phenylbenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one

C24H21N3O3 — CID 110358074

IUPAC7-[4-(3-phenylbenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
SMILESO=C(c1cccc(-c2ccccc2)c1)N1CCN(c2cccc3[nH]c(=O)oc23)CC1
InChIInChI=1S/C24H21N3O3/c28-23(19-9-4-8-18(16-19)17-6-2-1-3-7-17)27-14-12-26(13-15-27)21-11-5-10-20-22(21)30-24(29)25-20/h1-11,16H,12-15H2,(H,25,29)
InChIKeyOVEWHGOBHWZFTO-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.75
Rot. Bonds3

About 7-[4-(3-phenylbenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one

7-[4-(3-phenylbenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one (PubChem CID 110358074) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 7-[4-(3-phenylbenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name7-[4-(3-phenylbenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
PubChem CID110358074
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name7-[4-(3-phenylbenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
SMILESO=C(c1cccc(-c2ccccc2)c1)N1CCN(c2cccc3[nH]c(=O)oc23)CC1
InChIInChI=1S/C24H21N3O3/c28-23(19-9-4-8-18(16-19)17-6-2-1-3-7-17)27-14-12-26(13-15-27)21-11-5-10-20-22(21)30-24(29)25-20/h1-11,16H,12-15H2,(H,25,29)
InChIKeyOVEWHGOBHWZFTO-UHFFFAOYSA-N
XLogP3.75
TPSA69.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-[4-(furan-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110358026
7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110358018
N,N-diethyl-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazine-1-carboxamide
CID 110358081
7-piperazin-1-yl-3H-1,3-benzoxazol-2-one
CID 20644640
1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone
CID 110755413
7-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110355132
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
7-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-3H-1,3-benzoxazol-2-one
CID 15950607
(1-oxo-1,4-thiazinan-4-yl)-(3-phenylphenyl)methanone
CID 110721543
6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110361332
(1-methylpyrrol-3-yl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110803225
(4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110725293

Frequently Asked Questions

What is the IUPAC name of 7-[4-(3-phenylbenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 7-[4-(3-phenylbenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one (CID 110358074) is 7-[4-(3-phenylbenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 7-[4-(3-phenylbenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 7-[4-(3-phenylbenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one is O=C(c1cccc(-c2ccccc2)c1)N1CCN(c2cccc3[nH]c(=O)oc23)CC1.
What is the InChIKey of 7-[4-(3-phenylbenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
The InChIKey is OVEWHGOBHWZFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c28-23(19-9-4-8-18(16-19)17-6-2-1-3-7-17)27-14-12-26(13-15-27)21-11-5-10-20-22(21)30-24(29)25-20/h1-11,16H,12-15H2,(H,25,29).
What are the key properties of 7-[4-(3-phenylbenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
7-[4-(3-phenylbenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one has a molecular weight of 399.45 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(3-phenylbenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 110358074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).