1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2,6-dimethylphenyl)cyclopropane-1-carboxamide

C23H24N2O4 — CID 90504130

IUPAC1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2,6-dimethylphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2cc(C3(C(=O)Nc4c(C)cccc4C)CC3)no2)cc1OC
InChIInChI=1S/C23H24N2O4/c1-14-6-5-7-15(2)21(14)24-22(26)23(10-11-23)20-13-18(29-25-20)16-8-9-17(27-3)19(12-16)28-4/h5-9,12-13H,10-11H2,1-4H3,(H,24,26)
InChIKeyTZWOGMXSDAENQH-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.65
Rot. Bonds6

About 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2,6-dimethylphenyl)cyclopropane-1-carboxamide

1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2,6-dimethylphenyl)cyclopropane-1-carboxamide (PubChem CID 90504130) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2,6-dimethylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2,6-dimethylphenyl)cyclopropane-1-carboxamide
PubChem CID90504130
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2,6-dimethylphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2cc(C3(C(=O)Nc4c(C)cccc4C)CC3)no2)cc1OC
InChIInChI=1S/C23H24N2O4/c1-14-6-5-7-15(2)21(14)24-22(26)23(10-11-23)20-13-18(29-25-20)16-8-9-17(27-3)19(12-16)28-4/h5-9,12-13H,10-11H2,1-4H3,(H,24,26)
InChIKeyTZWOGMXSDAENQH-UHFFFAOYSA-N
XLogP4.65
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2,6-dimethylphenyl)cyclopropane-1-carboxamide
CID 90504424
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-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide
CID 90504232
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-(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
N-[(4-chlorophenyl)methyl]-1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90504048
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 90504059
N-[(2-chlorophenyl)methyl]-1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90504040
[1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 90503978

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2,6-dimethylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2,6-dimethylphenyl)cyclopropane-1-carboxamide (CID 90504130) is 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2,6-dimethylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2,6-dimethylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2,6-dimethylphenyl)cyclopropane-1-carboxamide is COc1ccc(-c2cc(C3(C(=O)Nc4c(C)cccc4C)CC3)no2)cc1OC.
What is the InChIKey of 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2,6-dimethylphenyl)cyclopropane-1-carboxamide?
The InChIKey is TZWOGMXSDAENQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-14-6-5-7-15(2)21(14)24-22(26)23(10-11-23)20-13-18(29-25-20)16-8-9-17(27-3)19(12-16)28-4/h5-9,12-13H,10-11H2,1-4H3,(H,24,26).
What are the key properties of 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2,6-dimethylphenyl)cyclopropane-1-carboxamide?
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2,6-dimethylphenyl)cyclopropane-1-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 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]-N-(2,6-dimethylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90504130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).