[4-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone

C26H24FN3O3 — CID 158945325

IUPAC[4-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
SMILESCc1ccc(C(c2ccc(F)cc2)N2CCN(C(=O)c3cc(-c4ccco4)on3)CC2)cc1
InChIInChI=1S/C26H24FN3O3/c1-18-4-6-19(7-5-18)25(20-8-10-21(27)11-9-20)29-12-14-30(15-13-29)26(31)22-17-24(33-28-22)23-3-2-16-32-23/h2-11,16-17,25H,12-15H2,1H3
InChIKeyYVBAKQWYBHIDQL-UHFFFAOYSA-N
MW445.49 g/mol
LogP4.93
Rot. Bonds5

About [4-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone

[4-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone (PubChem CID 158945325) has the molecular formula C26H24FN3O3 and a molecular weight of 445.49 g/mol. Its IUPAC name is [4-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[4-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
PubChem CID158945325
Molecular FormulaC26H24FN3O3
Molecular Weight445.49 g/mol
Exact Mass445.18
IUPAC Name[4-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
SMILESCc1ccc(C(c2ccc(F)cc2)N2CCN(C(=O)c3cc(-c4ccco4)on3)CC2)cc1
InChIInChI=1S/C26H24FN3O3/c1-18-4-6-19(7-5-18)25(20-8-10-21(27)11-9-20)29-12-14-30(15-13-29)26(31)22-17-24(33-28-22)23-3-2-16-32-23/h2-11,16-17,25H,12-15H2,1H3
InChIKeyYVBAKQWYBHIDQL-UHFFFAOYSA-N
XLogP4.93
TPSA62.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone with MolForge

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Related Compounds

(2,6-Dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 3463564
[5-(2-Furanyl)-3-isoxazolyl]-(4-methyl-1-piperidinyl)methanone
CID 4609473
N-(3-acetylphenyl)-5-(2-furyl)-3-isoxazolecarboxamide
CID 17253055
5-(2-furyl)-N-isobutylisoxazole-3-carboxamide
CID 3236696
4-{[5-(2-Furyl)isoxazol-3-yl]carbonyl}morpholine
CID 3239637
5-(furan-2-yl)-N-propyl-1,2-oxazole-3-carboxamide
CID 3240242
N-benzyl-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 3241359
5-(furan-2-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 3245765
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 6619139
1-({5-[(2,6-Dimethylphenoxy)methyl]-3-isoxazolyl}carbonyl)-2-methyl-4-phenylpiperazine
CID 24794246
(3S,6R)-4-[5-(4-fluorophenyl)isoxazole-3-carbonyl]-6-(2-furyl)-3-isobutyl-piperazin-2-one
CID 68158489
N-(2-ethylphenyl)-5-(2-furyl)-3-isoxazolecarboxamide
CID 17253049

Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of [4-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone (CID 158945325) is [4-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [4-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [4-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone is Cc1ccc(C(c2ccc(F)cc2)N2CCN(C(=O)c3cc(-c4ccco4)on3)CC2)cc1.
What is the InChIKey of [4-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone?
The InChIKey is YVBAKQWYBHIDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O3/c1-18-4-6-19(7-5-18)25(20-8-10-21(27)11-9-20)29-12-14-30(15-13-29)26(31)22-17-24(33-28-22)23-3-2-16-32-23/h2-11,16-17,25H,12-15H2,1H3.
What are the key properties of [4-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone?
[4-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone has a molecular weight of 445.49 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenyl)-(4-methylphenyl)methyl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 158945325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).