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

C19H17N3O3S — CID 90502598

IUPACN-(4-acetamidophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2(c3cc(-c4cccs4)on3)CC2)cc1
InChIInChI=1S/C19H17N3O3S/c1-12(23)20-13-4-6-14(7-5-13)21-18(24)19(8-9-19)17-11-15(25-22-17)16-3-2-10-26-16/h2-7,10-11H,8-9H2,1H3,(H,20,23)(H,21,24)
InChIKeyORSMLLWQPITDTR-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.03
Rot. Bonds5

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

N-(4-acetamidophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 90502598) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
PubChem CID90502598
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-(4-acetamidophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2(c3cc(-c4cccs4)on3)CC2)cc1
InChIInChI=1S/C19H17N3O3S/c1-12(23)20-13-4-6-14(7-5-13)21-18(24)19(8-9-19)17-11-15(25-22-17)16-3-2-10-26-16/h2-7,10-11H,8-9H2,1H3,(H,20,23)(H,21,24)
InChIKeyORSMLLWQPITDTR-UHFFFAOYSA-N
XLogP4.03
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(acetylsulfamoyl)phenyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502612
N-(3,5-dichlorophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502682
1-(5-thiophen-2-yl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
CID 90502702
N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502732
N-(5-methyl-1,3-thiazol-2-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502740
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
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
N-(3-acetamidophenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90502897
(4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone
CID 90502501
N-(4-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253069

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (CID 90502598) is N-(4-acetamidophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is CC(=O)Nc1ccc(NC(=O)C2(c3cc(-c4cccs4)on3)CC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is ORSMLLWQPITDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-12(23)20-13-4-6-14(7-5-13)21-18(24)19(8-9-19)17-11-15(25-22-17)16-3-2-10-26-16/h2-7,10-11H,8-9H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-acetamidophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
N-(4-acetamidophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90502598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).