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

C19H21N3O3 — CID 162212278

IUPAC4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one
SMILESCOc1cccc(N2CCN(Cc3cccc4oc(=O)[nH]c34)CC2)c1
InChIInChI=1S/C19H21N3O3/c1-24-16-6-3-5-15(12-16)22-10-8-21(9-11-22)13-14-4-2-7-17-18(14)20-19(23)25-17/h2-7,12H,8-11,13H2,1H3,(H,20,23)
InChIKeyZSZWJDMANZAJCJ-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.45
Rot. Bonds4

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

4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one (PubChem CID 162212278) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one
PubChem CID162212278
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one
SMILESCOc1cccc(N2CCN(Cc3cccc4oc(=O)[nH]c34)CC2)c1
InChIInChI=1S/C19H21N3O3/c1-24-16-6-3-5-15(12-16)22-10-8-21(9-11-22)13-14-4-2-7-17-18(14)20-19(23)25-17/h2-7,12H,8-11,13H2,1H3,(H,20,23)
InChIKeyZSZWJDMANZAJCJ-UHFFFAOYSA-N
XLogP2.45
TPSA61.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-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

hypochlorous acid;4-[4-[(2-oxo-3H-1,3-benzoxazol-4-yl)methyl]piperazin-1-yl]benzenesulfonamide
CID 158976268
1-(1,3-benzodioxol-4-ylmethyl)-4-(3-methoxyphenyl)piperazine
CID 4992251
1-(3-methoxyphenyl)-4-[(2-nitrophenyl)methyl]piperazine
CID 782035
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
3-(azepan-1-ylmethyl)-4-hydroxy-5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]pyran-2-one
CID 71700964
2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 56819748
1-[(4-bromothiophen-2-yl)methyl]-4-(3-methoxyphenyl)piperazine
CID 1375734
1-(3-chlorophenyl)-4-[(5-methoxy-1-benzofuran-2-yl)methyl]piperazine
CID 3067874
1-[(2-methoxy-5-nitrophenyl)methyl]-4-(3-methoxyphenyl)piperazine
CID 38124721
1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine
CID 10243741
[4-(3-methoxyphenyl)piperazin-1-yl]methanesulfinate
CID 174627257
4-[(hydroxyamino)methyl]-3H-1,3-benzoxazol-2-one
CID 117278228

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one (CID 162212278) is 4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one is COc1cccc(N2CCN(Cc3cccc4oc(=O)[nH]c34)CC2)c1.
What is the InChIKey of 4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is ZSZWJDMANZAJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-24-16-6-3-5-15(12-16)22-10-8-21(9-11-22)13-14-4-2-7-17-18(14)20-19(23)25-17/h2-7,12H,8-11,13H2,1H3,(H,20,23).
What are the key properties of 4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one?
4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 339.40 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 162212278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).