cyclopropyl-[4-[4-(6-fluoro-1,3-benzoxazol-2-yl)benzoyl]piperazin-1-yl]methanone

C22H20FN3O3 — CID 123320554

IUPACcyclopropyl-[4-[4-(6-fluoro-1,3-benzoxazol-2-yl)benzoyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2nc3ccc(F)cc3o2)cc1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C22H20FN3O3/c23-17-7-8-18-19(13-17)29-20(24-18)14-1-3-15(4-2-14)21(27)25-9-11-26(12-10-25)22(28)16-5-6-16/h1-4,7-8,13,16H,5-6,9-12H2
InChIKeyUFECYZDQDZPLHV-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.33
Rot. Bonds3

About cyclopropyl-[4-[4-(6-fluoro-1,3-benzoxazol-2-yl)benzoyl]piperazin-1-yl]methanone

cyclopropyl-[4-[4-(6-fluoro-1,3-benzoxazol-2-yl)benzoyl]piperazin-1-yl]methanone (PubChem CID 123320554) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is cyclopropyl-[4-[4-(6-fluoro-1,3-benzoxazol-2-yl)benzoyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[4-(6-fluoro-1,3-benzoxazol-2-yl)benzoyl]piperazin-1-yl]methanone
PubChem CID123320554
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Namecyclopropyl-[4-[4-(6-fluoro-1,3-benzoxazol-2-yl)benzoyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2nc3ccc(F)cc3o2)cc1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C22H20FN3O3/c23-17-7-8-18-19(13-17)29-20(24-18)14-1-3-15(4-2-14)21(27)25-9-11-26(12-10-25)22(28)16-5-6-16/h1-4,7-8,13,16H,5-6,9-12H2
InChIKeyUFECYZDQDZPLHV-UHFFFAOYSA-N
XLogP3.33
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[4-(2-methyl-1,3-benzoxazole-6-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110806533
[4-(1,3-benzoxazol-2-yl)phenyl]-piperidin-1-ylmethanone
CID 50849559
[3-fluoro-4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 118621481
[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 162432808
(6-fluoro-1,3-benzoxazol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 10038393
cyclopropyl-[4-(naphthalene-2-carbonyl)piperazin-1-yl]methanone
CID 9389888
[2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 167448268
(3S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]-3-hydroxypyrrolidine-1-carboxamide
CID 111431736
4-(6-fluoro-1,3-benzoxazol-2-yl)benzaldehyde
CID 142573895
2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 46378855
1-cyclopropyl-2-[4-(6-fluoroquinoline-3-carbonyl)piperazin-1-yl]ethanone
CID 75391181
[4-(6-chloro-1,3-benzoxazol-2-yl)piperazin-1-yl]-cyclopropylmethanone
CID 171335973

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[4-(6-fluoro-1,3-benzoxazol-2-yl)benzoyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[4-(6-fluoro-1,3-benzoxazol-2-yl)benzoyl]piperazin-1-yl]methanone (CID 123320554) is cyclopropyl-[4-[4-(6-fluoro-1,3-benzoxazol-2-yl)benzoyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[4-(6-fluoro-1,3-benzoxazol-2-yl)benzoyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[4-(6-fluoro-1,3-benzoxazol-2-yl)benzoyl]piperazin-1-yl]methanone is O=C(c1ccc(-c2nc3ccc(F)cc3o2)cc1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-[4-(6-fluoro-1,3-benzoxazol-2-yl)benzoyl]piperazin-1-yl]methanone?
The InChIKey is UFECYZDQDZPLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c23-17-7-8-18-19(13-17)29-20(24-18)14-1-3-15(4-2-14)21(27)25-9-11-26(12-10-25)22(28)16-5-6-16/h1-4,7-8,13,16H,5-6,9-12H2.
What are the key properties of cyclopropyl-[4-[4-(6-fluoro-1,3-benzoxazol-2-yl)benzoyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[4-(6-fluoro-1,3-benzoxazol-2-yl)benzoyl]piperazin-1-yl]methanone has a molecular weight of 393.42 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[4-(6-fluoro-1,3-benzoxazol-2-yl)benzoyl]piperazin-1-yl]methanone is sourced from PubChem (CID 123320554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).