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

C25H27N3O4 — CID 90503702

IUPAC[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(-c2cc(C3(C(=O)N4CCN(c5ccccc5OC)CC4)CC3)no2)c1
InChIInChI=1S/C25H27N3O4/c1-30-19-7-5-6-18(16-19)22-17-23(26-32-22)25(10-11-25)24(29)28-14-12-27(13-15-28)20-8-3-4-9-21(20)31-2/h3-9,16-17H,10-15H2,1-2H3
InChIKeyUGORVRVYVYMCCG-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.74
Rot. Bonds6

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

[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 90503702) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is [1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID90503702
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(-c2cc(C3(C(=O)N4CCN(c5ccccc5OC)CC4)CC3)no2)c1
InChIInChI=1S/C25H27N3O4/c1-30-19-7-5-6-18(16-19)22-17-23(26-32-22)25(10-11-25)24(29)28-14-12-27(13-15-28)20-8-3-4-9-21(20)31-2/h3-9,16-17H,10-15H2,1-2H3
InChIKeyUGORVRVYVYMCCG-UHFFFAOYSA-N
XLogP3.74
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 90503693
(4-benzylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
CID 90503696
(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-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 90503585
[1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 90503978
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
CID 90504215
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 15998425
ethyl 4-[1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazine-1-carboxylate
CID 90503998
[1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 90504217
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone
CID 113198236
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 90503650

Frequently Asked Questions

What is the IUPAC name of [1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 90503702) is [1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1cccc(-c2cc(C3(C(=O)N4CCN(c5ccccc5OC)CC4)CC3)no2)c1.
What is the InChIKey of [1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is UGORVRVYVYMCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-30-19-7-5-6-18(16-19)22-17-23(26-32-22)25(10-11-25)24(29)28-14-12-27(13-15-28)20-8-3-4-9-21(20)31-2/h3-9,16-17H,10-15H2,1-2H3.
What are the key properties of [1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 433.51 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 90503702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).