6-(3-chlorobenzoyl)-5-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one

C26H24ClN3O3 — CID 25111658

IUPAC6-(3-chlorobenzoyl)-5-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one
SMILESCc1cc2c(cc1C(=O)c1cccc(Cl)c1)oc(=O)n2CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H24ClN3O3/c1-18-14-23-24(16-22(18)25(31)19-6-5-7-20(27)15-19)33-26(32)30(23)17-28-10-12-29(13-11-28)21-8-3-2-4-9-21/h2-9,14-16H,10-13,17H2,1H3
InChIKeyMAMAVNYZSQHKRA-UHFFFAOYSA-N
MW461.95 g/mol
LogP4.57
Rot. Bonds5

About 6-(3-chlorobenzoyl)-5-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one

6-(3-chlorobenzoyl)-5-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one (PubChem CID 25111658) has the molecular formula C26H24ClN3O3 and a molecular weight of 461.95 g/mol. Its IUPAC name is 6-(3-chlorobenzoyl)-5-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(3-chlorobenzoyl)-5-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one
PubChem CID25111658
Molecular FormulaC26H24ClN3O3
Molecular Weight461.95 g/mol
Exact Mass461.15
IUPAC Name6-(3-chlorobenzoyl)-5-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one
SMILESCc1cc2c(cc1C(=O)c1cccc(Cl)c1)oc(=O)n2CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H24ClN3O3/c1-18-14-23-24(16-22(18)25(31)19-6-5-7-20(27)15-19)33-26(32)30(23)17-28-10-12-29(13-11-28)21-8-3-2-4-9-21/h2-9,14-16H,10-13,17H2,1H3
InChIKeyMAMAVNYZSQHKRA-UHFFFAOYSA-N
XLogP4.57
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.95
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(3-chlorobenzoyl)-5-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one with MolForge

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Related Compounds

6-(2-chlorobenzoyl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-benzoxazol-2-one
CID 11202437
6-(2-chlorobenzoyl)-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-benzoxazol-2-one
CID 10323416
6-benzoyl-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one
CID 3062964
ethyl 4-[[5-chloro-6-(2-chlorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]methyl]piperazine-1-carboxylate
CID 10344988
1-(4-chloro-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 70247357
3-ethyl-5-(4-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one
CID 53067148
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoic acid
CID 751483
6-acetyl-3-[(E)-4-[4-(4-methylphenyl)piperazin-1-yl]but-2-enyl]-1,3-benzoxazol-2-one
CID 143767707
2-amino-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone
CID 83971734
3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-[(E)-3-phenylprop-2-enoyl]-1,3-benzoxazol-2-one
CID 24744903
3-[(2-methylphenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxylic acid
CID 82062902
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorobenzoyl)-5-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 6-(3-chlorobenzoyl)-5-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one (CID 25111658) is 6-(3-chlorobenzoyl)-5-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(3-chlorobenzoyl)-5-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(3-chlorobenzoyl)-5-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one is Cc1cc2c(cc1C(=O)c1cccc(Cl)c1)oc(=O)n2CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 6-(3-chlorobenzoyl)-5-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one?
The InChIKey is MAMAVNYZSQHKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O3/c1-18-14-23-24(16-22(18)25(31)19-6-5-7-20(27)15-19)33-26(32)30(23)17-28-10-12-29(13-11-28)21-8-3-2-4-9-21/h2-9,14-16H,10-13,17H2,1H3.
What are the key properties of 6-(3-chlorobenzoyl)-5-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one?
6-(3-chlorobenzoyl)-5-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one has a molecular weight of 461.95 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorobenzoyl)-5-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 25111658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).