6-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one

C20H21N3O4 — CID 110361367

IUPAC6-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
SMILESCc1ccc(OCC(=O)N2CCN(c3ccc4[nH]c(=O)oc4c3)CC2)cc1
InChIInChI=1S/C20H21N3O4/c1-14-2-5-16(6-3-14)26-13-19(24)23-10-8-22(9-11-23)15-4-7-17-18(12-15)27-20(25)21-17/h2-7,12H,8-11,13H2,1H3,(H,21,25)
InChIKeyZFBUPCPMAIOJIY-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.16
Rot. Bonds4

About 6-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one

6-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one (PubChem CID 110361367) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 6-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
PubChem CID110361367
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name6-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
SMILESCc1ccc(OCC(=O)N2CCN(c3ccc4[nH]c(=O)oc4c3)CC2)cc1
InChIInChI=1S/C20H21N3O4/c1-14-2-5-16(6-3-14)26-13-19(24)23-10-8-22(9-11-23)15-4-7-17-18(12-15)27-20(25)21-17/h2-7,12H,8-11,13H2,1H3,(H,21,25)
InChIKeyZFBUPCPMAIOJIY-UHFFFAOYSA-N
XLogP2.16
TPSA78.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110662250
5-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110361243
5-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110662247
5-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110662246
6-[(2R)-2-hydroxy-3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]-3H-1,3-benzoxazol-2-one
CID 67250817
6-[(2S)-2-hydroxy-3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]-3H-1,3-benzoxazol-2-one
CID 25160622
1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 113076572
5-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110642459
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-4-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one
CID 135933432
7-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3,4-dimethylchromen-2-one
CID 4894408
2-(4-chlorophenoxy)-1-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]ethanone
CID 110643390

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one (CID 110361367) is 6-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one is Cc1ccc(OCC(=O)N2CCN(c3ccc4[nH]c(=O)oc4c3)CC2)cc1.
What is the InChIKey of 6-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
The InChIKey is ZFBUPCPMAIOJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-14-2-5-16(6-3-14)26-13-19(24)23-10-8-22(9-11-23)15-4-7-17-18(12-15)27-20(25)21-17/h2-7,12H,8-11,13H2,1H3,(H,21,25).
What are the key properties of 6-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
6-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one has a molecular weight of 367.41 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 110361367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).