1-(5-thiophen-2-yl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide

C20H20N2O5S — CID 90502702

IUPAC1-(5-thiophen-2-yl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1cc(NC(=O)C2(c3cc(-c4cccs4)on3)CC2)cc(OC)c1OC
InChIInChI=1S/C20H20N2O5S/c1-24-14-9-12(10-15(25-2)18(14)26-3)21-19(23)20(6-7-20)17-11-13(27-22-17)16-5-4-8-28-16/h4-5,8-11H,6-7H2,1-3H3,(H,21,23)
InChIKeyIGADWXUHLRDTSD-UHFFFAOYSA-N
MW400.46 g/mol
LogP4.10
Rot. Bonds7

About 1-(5-thiophen-2-yl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide

1-(5-thiophen-2-yl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 90502702) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is 1-(5-thiophen-2-yl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(5-thiophen-2-yl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
PubChem CID90502702
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC Name1-(5-thiophen-2-yl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1cc(NC(=O)C2(c3cc(-c4cccs4)on3)CC2)cc(OC)c1OC
InChIInChI=1S/C20H20N2O5S/c1-24-14-9-12(10-15(25-2)18(14)26-3)21-19(23)20(6-7-20)17-11-13(27-22-17)16-5-4-8-28-16/h4-5,8-11H,6-7H2,1-3H3,(H,21,23)
InChIKeyIGADWXUHLRDTSD-UHFFFAOYSA-N
XLogP4.10
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(5-thiophen-2-yl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-(4-acetamidophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502598
N-(3,5-dichlorophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502682
N-(5-methyl-1,3-thiazol-2-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502740
N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502732
N-[4-(acetylsulfamoyl)phenyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502612
N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502473
1-(5-phenyl-1,2-oxazol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 90503338
N-(1-adamantyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502699
N-benzhydryl-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502552
1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid
CID 102543851
(4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone
CID 90502501
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 90504070

Frequently Asked Questions

What is the IUPAC name of 1-(5-thiophen-2-yl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(5-thiophen-2-yl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide (CID 90502702) is 1-(5-thiophen-2-yl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(5-thiophen-2-yl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(5-thiophen-2-yl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide is COc1cc(NC(=O)C2(c3cc(-c4cccs4)on3)CC2)cc(OC)c1OC.
What is the InChIKey of 1-(5-thiophen-2-yl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is IGADWXUHLRDTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-24-14-9-12(10-15(25-2)18(14)26-3)21-19(23)20(6-7-20)17-11-13(27-22-17)16-5-4-8-28-16/h4-5,8-11H,6-7H2,1-3H3,(H,21,23).
What are the key properties of 1-(5-thiophen-2-yl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide?
1-(5-thiophen-2-yl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-thiophen-2-yl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90502702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).