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

C22H22N2O4 — CID 90504070

IUPAC1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2cc(C3(C(=O)Nc4cccc(C)c4)CC3)no2)cc1OC
InChIInChI=1S/C22H22N2O4/c1-14-5-4-6-16(11-14)23-21(25)22(9-10-22)20-13-18(28-24-20)15-7-8-17(26-2)19(12-15)27-3/h4-8,11-13H,9-10H2,1-3H3,(H,23,25)
InChIKeyRTNSYBDJJFHLHA-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.34
Rot. Bonds6

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

1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 90504070) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methylphenyl)cyclopropane-1-carboxamide
PubChem CID90504070
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2cc(C3(C(=O)Nc4cccc(C)c4)CC3)no2)cc1OC
InChIInChI=1S/C22H22N2O4/c1-14-5-4-6-16(11-14)23-21(25)22(9-10-22)20-13-18(28-24-20)15-7-8-17(26-2)19(12-15)27-3/h4-8,11-13H,9-10H2,1-3H3,(H,23,25)
InChIKeyRTNSYBDJJFHLHA-UHFFFAOYSA-N
XLogP4.34
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methylphenyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-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-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 90504663
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-(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
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide
CID 90504232
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-(3-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methylphenyl)cyclopropane-1-carboxamide (CID 90504070) is 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methylphenyl)cyclopropane-1-carboxamide is COc1ccc(-c2cc(C3(C(=O)Nc4cccc(C)c4)CC3)no2)cc1OC.
What is the InChIKey of 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is RTNSYBDJJFHLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-14-5-4-6-16(11-14)23-21(25)22(9-10-22)20-13-18(28-24-20)15-7-8-17(26-2)19(12-15)27-3/h4-8,11-13H,9-10H2,1-3H3,(H,23,25).
What are the key properties of 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methylphenyl)cyclopropane-1-carboxamide?
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 4.34, 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-(3-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90504070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).