6-[1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropyl]-3-methyl-1,3-benzoxazol-2-one

C23H29N3O4 — CID 14556360

IUPAC6-[1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCOc1ccccc1N1CCN(CC(C)C(O)c2ccc3c(c2)oc(=O)n3C)CC1
InChIInChI=1S/C23H29N3O4/c1-16(22(27)17-8-9-18-21(14-17)30-23(28)24(18)2)15-25-10-12-26(13-11-25)19-6-4-5-7-20(19)29-3/h4-9,14,16,22,27H,10-13,15H2,1-3H3
InChIKeyYEKPFXJGMTVIPK-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.63
Rot. Bonds6

About 6-[1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropyl]-3-methyl-1,3-benzoxazol-2-one

6-[1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropyl]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 14556360) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 6-[1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropyl]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropyl]-3-methyl-1,3-benzoxazol-2-one
PubChem CID14556360
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name6-[1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCOc1ccccc1N1CCN(CC(C)C(O)c2ccc3c(c2)oc(=O)n3C)CC1
InChIInChI=1S/C23H29N3O4/c1-16(22(27)17-8-9-18-21(14-17)30-23(28)24(18)2)15-25-10-12-26(13-11-25)19-6-4-5-7-20(19)29-3/h4-9,14,16,22,27H,10-13,15H2,1-3H3
InChIKeyYEKPFXJGMTVIPK-UHFFFAOYSA-N
XLogP2.63
TPSA71.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropyl]-3-methyl-1,3-benzoxazol-2-one with MolForge

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Related Compounds

6-[1-hydroxy-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one
CID 10428214
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,3-benzoxazol-2-one
CID 10714877
3-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]-1,3-benzoxazol-2-one
CID 118713683
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutan-2-amine
CID 43199804
6-(1-hydroxy-2-morpholin-4-ylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 11011781
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 829697
6-[1-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-3-methyl-1,3-benzoxazol-2-one
CID 14751625
methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate
CID 19433554
3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-[(E)-3-phenylprop-2-enoyl]-1,3-benzoxazol-2-one
CID 24744903
1-(dimethylamino)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 18714192
2-[4-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one
CID 13298564
(1S)-1-(2,5-dimethylthiophen-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol
CID 92600875

Frequently Asked Questions

What is the IUPAC name of 6-[1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropyl]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropyl]-3-methyl-1,3-benzoxazol-2-one (CID 14556360) is 6-[1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropyl]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropyl]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropyl]-3-methyl-1,3-benzoxazol-2-one is COc1ccccc1N1CCN(CC(C)C(O)c2ccc3c(c2)oc(=O)n3C)CC1.
What is the InChIKey of 6-[1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropyl]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is YEKPFXJGMTVIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-16(22(27)17-8-9-18-21(14-17)30-23(28)24(18)2)15-25-10-12-26(13-11-25)19-6-4-5-7-20(19)29-3/h4-9,14,16,22,27H,10-13,15H2,1-3H3.
What are the key properties of 6-[1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropyl]-3-methyl-1,3-benzoxazol-2-one?
6-[1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropyl]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 411.50 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropyl]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 14556360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).