[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

C24H24FN3O3 — CID 90503585

IUPAC[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)C3(c4cc(-c5ccccc5F)on4)CC3)CC2)c1
InChIInChI=1S/C24H24FN3O3/c1-30-18-6-4-5-17(15-18)27-11-13-28(14-12-27)23(29)24(9-10-24)22-16-21(31-26-22)19-7-2-3-8-20(19)25/h2-8,15-16H,9-14H2,1H3
InChIKeyGQGWHAQZTAHRRH-UHFFFAOYSA-N
MW421.47 g/mol
LogP3.87
Rot. Bonds5

About [1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 90503585) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is [1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID90503585
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)C3(c4cc(-c5ccccc5F)on4)CC3)CC2)c1
InChIInChI=1S/C24H24FN3O3/c1-30-18-6-4-5-17(15-18)27-11-13-28(14-12-27)23(29)24(9-10-24)22-16-21(31-26-22)19-7-2-3-8-20(19)25/h2-8,15-16H,9-14H2,1H3
InChIKeyGQGWHAQZTAHRRH-UHFFFAOYSA-N
XLogP3.87
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 90503693
[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 90503589
1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 90503481
(4-benzylpiperazin-1-yl)-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
CID 90503396
1-[4-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 90503872
[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 90503702
[4-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 90503603
3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 38575569
(4-cyclohexylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
CID 90503909
[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 90503914
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
CID 90503368
1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(1-methoxypropan-2-yl)cyclopropane-1-carboxamide
CID 90503418

Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (CID 90503585) is [1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is COc1cccc(N2CCN(C(=O)C3(c4cc(-c5ccccc5F)on4)CC3)CC2)c1.
What is the InChIKey of [1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is GQGWHAQZTAHRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-30-18-6-4-5-17(15-18)27-11-13-28(14-12-27)23(29)24(9-10-24)22-16-21(31-26-22)19-7-2-3-8-20(19)25/h2-8,15-16H,9-14H2,1H3.
What are the key properties of [1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 421.47 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 90503585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).