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

C24H26FN3O2 — CID 46350563

IUPAC(4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]methanone
SMILESO=C(c1ccc2noc(-c3ccc(F)cc3)c2c1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C24H26FN3O2/c25-19-9-6-17(7-10-19)23-21-16-18(8-11-22(21)26-30-23)24(29)28-14-12-27(13-15-28)20-4-2-1-3-5-20/h6-11,16,20H,1-5,12-15H2
InChIKeyVDIYHTAMBSDEEC-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.72
Rot. Bonds3

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

(4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]methanone (PubChem CID 46350563) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]methanone
PubChem CID46350563
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name(4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]methanone
SMILESO=C(c1ccc2noc(-c3ccc(F)cc3)c2c1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C24H26FN3O2/c25-19-9-6-17(7-10-19)23-21-16-18(8-11-22(21)26-30-23)24(29)28-14-12-27(13-15-28)20-4-2-1-3-5-20/h6-11,16,20H,1-5,12-15H2
InChIKeyVDIYHTAMBSDEEC-UHFFFAOYSA-N
XLogP4.72
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 22575651
azetidin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 17488305
[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 154863792
(4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 828765
(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 764831
(3-phenyl-2,1-benzoxazol-5-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 30739138
[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 38861430
[4-(furan-2-carbonyl)piperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 9450440
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 122258492
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 51923600
[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 22575715
[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 55653019

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]methanone (CID 46350563) is (4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]methanone is O=C(c1ccc2noc(-c3ccc(F)cc3)c2c1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]methanone?
The InChIKey is VDIYHTAMBSDEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c25-19-9-6-17(7-10-19)23-21-16-18(8-11-22(21)26-30-23)24(29)28-14-12-27(13-15-28)20-4-2-1-3-5-20/h6-11,16,20H,1-5,12-15H2.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]methanone?
(4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]methanone has a molecular weight of 407.49 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]methanone is sourced from PubChem (CID 46350563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).