[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone

C19H18FN3O2 — CID 162432808

IUPAC[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc3oc(-c4cccc(F)c4)nc3c2)CC1
InChIInChI=1S/C19H18FN3O2/c1-22-7-9-23(10-8-22)19(24)14-5-6-17-16(12-14)21-18(25-17)13-3-2-4-15(20)11-13/h2-6,11-12H,7-10H2,1H3
InChIKeyCFWFCSHTSRLOPE-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.02
Rot. Bonds2

About [2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone

[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 162432808) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID162432808
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc3oc(-c4cccc(F)c4)nc3c2)CC1
InChIInChI=1S/C19H18FN3O2/c1-22-7-9-23(10-8-22)19(24)14-5-6-17-16(12-14)21-18(25-17)13-3-2-4-15(20)11-13/h2-6,11-12H,7-10H2,1H3
InChIKeyCFWFCSHTSRLOPE-UHFFFAOYSA-N
XLogP3.02
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-(4-methylpiperazin-1-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

[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methanone
CID 162432682
1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone
CID 82299125
[2-(3,5-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 162432686
1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]propan-1-one
CID 82305496
2-(3-fluorophenyl)-5-[(4-methylpiperazin-1-yl)methyl]-1,3-benzoxazole
CID 91682473
[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 25301482
(2S)-1-[2-(3-fluorophenyl)-1,3-benzoxazole-5-carbonyl]-2-methyl-1,4-diazepan-5-one
CID 97276709
2-(3-fluorophenyl)-N-(4-methoxy-1-methylpyrrolidin-3-yl)-1,3-benzoxazole-5-carboxamide
CID 156605158
[2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 167448268
[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-(4-methyl-3-propan-2-ylpiperazin-1-yl)methanone
CID 162432684
[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 50850755
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-(3-fluorophenyl)-1,3-benzoxazole-5-carboxamide
CID 97280636

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone (CID 162432808) is [2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc3oc(-c4cccc(F)c4)nc3c2)CC1.
What is the InChIKey of [2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is CFWFCSHTSRLOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-22-7-9-23(10-8-22)19(24)14-5-6-17-16(12-14)21-18(25-17)13-3-2-4-15(20)11-13/h2-6,11-12H,7-10H2,1H3.
What are the key properties of [2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone?
[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 339.37 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 162432808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).