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

C24H25N3O3 — CID 90503693

IUPAC[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1cccc(-c2cc(C3(C(=O)N4CCN(c5ccccc5)CC4)CC3)no2)c1
InChIInChI=1S/C24H25N3O3/c1-29-20-9-5-6-18(16-20)21-17-22(25-30-21)24(10-11-24)23(28)27-14-12-26(13-15-27)19-7-3-2-4-8-19/h2-9,16-17H,10-15H2,1H3
InChIKeySARBIXACBCHFJN-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.73
Rot. Bonds5

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

[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 90503693) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is [1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID90503693
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1cccc(-c2cc(C3(C(=O)N4CCN(c5ccccc5)CC4)CC3)no2)c1
InChIInChI=1S/C24H25N3O3/c1-29-20-9-5-6-18(16-20)21-17-22(25-30-21)24(10-11-24)23(28)27-14-12-26(13-15-27)19-7-3-2-4-8-19/h2-9,16-17H,10-15H2,1H3
InChIKeySARBIXACBCHFJN-UHFFFAOYSA-N
XLogP3.73
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-benzylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
CID 90503696
[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 90503585
(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
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
CID 90504215
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-oxothiolan-3-yl)cyclopropane-1-carboxamide
CID 90503904
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 90503710
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 17011323
N-benzyl-N-(2-hydroxyethyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90503672
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(5-phenyl-1,2-oxazol-3-yl)cyclopropyl]methanone
CID 90503094

Frequently Asked Questions

What is the IUPAC name of [1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-(4-phenylpiperazin-1-yl)methanone (CID 90503693) is [1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-(4-phenylpiperazin-1-yl)methanone is COc1cccc(-c2cc(C3(C(=O)N4CCN(c5ccccc5)CC4)CC3)no2)c1.
What is the InChIKey of [1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is SARBIXACBCHFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-29-20-9-5-6-18(16-20)21-17-22(25-30-21)24(10-11-24)23(28)27-14-12-26(13-15-27)19-7-3-2-4-8-19/h2-9,16-17H,10-15H2,1H3.
What are the key properties of [1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-(4-phenylpiperazin-1-yl)methanone?
[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 403.48 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 90503693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).