1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide

C25H23N3O4 — CID 90504232

IUPAC1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2cc(C3(C(=O)Nc4cccc5nc(C)ccc45)CC3)no2)cc1OC
InChIInChI=1S/C25H23N3O4/c1-15-7-9-17-18(26-15)5-4-6-19(17)27-24(29)25(11-12-25)23-14-21(32-28-23)16-8-10-20(30-2)22(13-16)31-3/h4-10,13-14H,11-12H2,1-3H3,(H,27,29)
InChIKeyLMLHMWWKLCEZKK-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.89
Rot. Bonds6

About 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide

1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide (PubChem CID 90504232) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide
PubChem CID90504232
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2cc(C3(C(=O)Nc4cccc5nc(C)ccc45)CC3)no2)cc1OC
InChIInChI=1S/C25H23N3O4/c1-15-7-9-17-18(26-15)5-4-6-19(17)27-24(29)25(11-12-25)23-14-21(32-28-23)16-8-10-20(30-2)22(13-16)31-3/h4-10,13-14H,11-12H2,1-3H3,(H,27,29)
InChIKeyLMLHMWWKLCEZKK-UHFFFAOYSA-N
XLogP4.89
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide
CID 90503923
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide
CID 90504519
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-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 90504204
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 90504070
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]-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-(4-sulfamoylphenyl)cyclopropane-1-carboxamide
CID 90504108
N-(3-chloro-4-fluorophenyl)-1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90504125
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 90504059
3,4-dimethoxy-N-(2-methylquinolin-5-yl)benzamide
CID 2996969
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]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide (CID 90504232) is 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide is COc1ccc(-c2cc(C3(C(=O)Nc4cccc5nc(C)ccc45)CC3)no2)cc1OC.
What is the InChIKey of 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide?
The InChIKey is LMLHMWWKLCEZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-15-7-9-17-18(26-15)5-4-6-19(17)27-24(29)25(11-12-25)23-14-21(32-28-23)16-8-10-20(30-2)22(13-16)31-3/h4-10,13-14H,11-12H2,1-3H3,(H,27,29).
What are the key properties of 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide?
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90504232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).