[1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-pyrrolidin-1-ylmethanone

C19H22N2O4 — CID 90503978

IUPAC[1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(-c2cc(C3(C(=O)N4CCCC4)CC3)no2)cc1OC
InChIInChI=1S/C19H22N2O4/c1-23-14-6-5-13(11-16(14)24-2)15-12-17(20-25-15)19(7-8-19)18(22)21-9-3-4-10-21/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyBAFOHGUOCPJKTM-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.01
Rot. Bonds5

About [1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-pyrrolidin-1-ylmethanone

[1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-pyrrolidin-1-ylmethanone (PubChem CID 90503978) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is [1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-pyrrolidin-1-ylmethanone
PubChem CID90503978
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name[1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(-c2cc(C3(C(=O)N4CCCC4)CC3)no2)cc1OC
InChIInChI=1S/C19H22N2O4/c1-23-14-6-5-13(11-16(14)24-2)15-12-17(20-25-15)19(7-8-19)18(22)21-9-3-4-10-21/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyBAFOHGUOCPJKTM-UHFFFAOYSA-N
XLogP3.01
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 90504217
ethyl 4-[1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazine-1-carboxylate
CID 90503998
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
CID 90504215
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-methylcyclopropane-1-carboxamide
CID 90504008
[1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 90504194
azepan-1-yl-[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
CID 90504286
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
CID 90503970
1-[4-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 90503872
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2,6-dimethylphenyl)cyclopropane-1-carboxamide
CID 90504130
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 90504172
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 90504070
N-[(4-chlorophenyl)methyl]-1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90504048

Frequently Asked Questions

What is the IUPAC name of [1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-pyrrolidin-1-ylmethanone (CID 90503978) is [1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-pyrrolidin-1-ylmethanone is COc1ccc(-c2cc(C3(C(=O)N4CCCC4)CC3)no2)cc1OC.
What is the InChIKey of [1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-pyrrolidin-1-ylmethanone?
The InChIKey is BAFOHGUOCPJKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-23-14-6-5-13(11-16(14)24-2)15-12-17(20-25-15)19(7-8-19)18(22)21-9-3-4-10-21/h5-6,11-12H,3-4,7-10H2,1-2H3.
What are the key properties of [1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-pyrrolidin-1-ylmethanone?
[1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-pyrrolidin-1-ylmethanone has a molecular weight of 342.40 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 90503978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).