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

C26H23ClFN3O3 — CID 11202437

IUPAC6-(2-chlorobenzoyl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-benzoxazol-2-one
SMILESCc1cc2c(cc1C(=O)c1ccccc1Cl)oc(=O)n2CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C26H23ClFN3O3/c1-17-14-23-24(15-21(17)25(32)20-4-2-3-5-22(20)27)34-26(33)31(23)16-29-10-12-30(13-11-29)19-8-6-18(28)7-9-19/h2-9,14-15H,10-13,16H2,1H3
InChIKeyLKGCYVRNZSLVRX-UHFFFAOYSA-N
MW479.94 g/mol
LogP4.71
Rot. Bonds5

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

6-(2-chlorobenzoyl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-benzoxazol-2-one (PubChem CID 11202437) has the molecular formula C26H23ClFN3O3 and a molecular weight of 479.94 g/mol. Its IUPAC name is 6-(2-chlorobenzoyl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(2-chlorobenzoyl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-benzoxazol-2-one
PubChem CID11202437
Molecular FormulaC26H23ClFN3O3
Molecular Weight479.94 g/mol
Exact Mass479.14
IUPAC Name6-(2-chlorobenzoyl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-benzoxazol-2-one
SMILESCc1cc2c(cc1C(=O)c1ccccc1Cl)oc(=O)n2CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C26H23ClFN3O3/c1-17-14-23-24(15-21(17)25(32)20-4-2-3-5-22(20)27)34-26(33)31(23)16-29-10-12-30(13-11-29)19-8-6-18(28)7-9-19/h2-9,14-15H,10-13,16H2,1H3
InChIKeyLKGCYVRNZSLVRX-UHFFFAOYSA-N
XLogP4.71
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.94
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-(3-chlorobenzoyl)-5-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one
CID 25111658
6-(2-chlorobenzoyl)-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-benzoxazol-2-one
CID 10323416
ethyl 4-[[5-chloro-6-(2-chlorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]methyl]piperazine-1-carboxylate
CID 10344988
6-bromo-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-benzoxazol-2-one
CID 55681446
6-benzoyl-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one
CID 3062964
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazol-3-one
CID 47068994
3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-(piperidine-1-carbonyl)-1,3-benzoxazol-2-one
CID 46329741
6-acetyl-3-[(E)-4-[4-(4-methylphenyl)piperazin-1-yl]but-2-enyl]-1,3-benzoxazol-2-one
CID 143767707
1-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 782911
6-acetyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one;dihydrochloride
CID 162329023
3-ethyl-5-(4-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one
CID 53067148
2-chloro-N-[2-[[C-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]benzamide
CID 111165221

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorobenzoyl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-(2-chlorobenzoyl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-benzoxazol-2-one (CID 11202437) is 6-(2-chlorobenzoyl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(2-chlorobenzoyl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(2-chlorobenzoyl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-benzoxazol-2-one is Cc1cc2c(cc1C(=O)c1ccccc1Cl)oc(=O)n2CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 6-(2-chlorobenzoyl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-benzoxazol-2-one?
The InChIKey is LKGCYVRNZSLVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN3O3/c1-17-14-23-24(15-21(17)25(32)20-4-2-3-5-22(20)27)34-26(33)31(23)16-29-10-12-30(13-11-29)19-8-6-18(28)7-9-19/h2-9,14-15H,10-13,16H2,1H3.
What are the key properties of 6-(2-chlorobenzoyl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-benzoxazol-2-one?
6-(2-chlorobenzoyl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-benzoxazol-2-one has a molecular weight of 479.94 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorobenzoyl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 11202437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).