(4-benzylpiperazin-1-yl)-(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)methanone

C23H23N3O3 — CID 22551053

IUPAC(4-benzylpiperazin-1-yl)-(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)methanone
SMILESCc1ccc2c(c1)-c1onc(C(=O)N3CCN(Cc4ccccc4)CC3)c1CO2
InChIInChI=1S/C23H23N3O3/c1-16-7-8-20-18(13-16)22-19(15-28-20)21(24-29-22)23(27)26-11-9-25(10-12-26)14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3
InChIKeyGSLFGWYDQCUSPH-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.50
Rot. Bonds3

About (4-benzylpiperazin-1-yl)-(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)methanone

(4-benzylpiperazin-1-yl)-(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)methanone (PubChem CID 22551053) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)methanone
PubChem CID22551053
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name(4-benzylpiperazin-1-yl)-(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)methanone
SMILESCc1ccc2c(c1)-c1onc(C(=O)N3CCN(Cc4ccccc4)CC3)c1CO2
InChIInChI=1S/C23H23N3O3/c1-16-7-8-20-18(13-16)22-19(15-28-20)21(24-29-22)23(27)26-11-9-25(10-12-26)14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3
InChIKeyGSLFGWYDQCUSPH-UHFFFAOYSA-N
XLogP3.50
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-benzylpiperazin-1-yl)-(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)methanone 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

(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 22551047
N-[(2S)-butan-2-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 92686767
N-(1,3-benzodioxol-5-ylmethyl)-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46273683
4-[[3-(4-benzylpiperazine-1-carbonyl)phenyl]methyl]-7-methyl-1,4-benzoxazin-3-one
CID 4002457
4-[[5-(4-benzylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one
CID 4573712
(4-benzylpiperazin-1-yl)-(3-methyl-1,2-oxazol-4-yl)methanone
CID 110853051
1,3-benzodioxol-5-yl-(4-benzylpiperazin-1-yl)methanone
CID 803605
(4-benzyl-1,4-diazepan-1-yl)-(4-methylphenyl)methanone
CID 23738787
(4-benzylpiperazin-1-yl)-[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone
CID 109331523
(3-methyl-1,2-oxazol-5-yl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 37250144
(4-benzylpiperazin-1-yl)-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 30697310
[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 31361933

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)methanone (CID 22551053) is (4-benzylpiperazin-1-yl)-(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)methanone is Cc1ccc2c(c1)-c1onc(C(=O)N3CCN(Cc4ccccc4)CC3)c1CO2.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)methanone?
The InChIKey is GSLFGWYDQCUSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-16-7-8-20-18(13-16)22-19(15-28-20)21(24-29-22)23(27)26-11-9-25(10-12-26)14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)methanone?
(4-benzylpiperazin-1-yl)-(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)methanone has a molecular weight of 389.46 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)methanone is sourced from PubChem (CID 22551053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).