N-[[5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide

C21H21N3O3S — CID 53126180

IUPACN-[[5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
SMILESCOc1ccc(C2(c3nc(-c4ccc(CNC(=O)C5CC5)s4)no3)CC2)cc1
InChIInChI=1S/C21H21N3O3S/c1-26-15-6-4-14(5-7-15)21(10-11-21)20-23-18(24-27-20)17-9-8-16(28-17)12-22-19(25)13-2-3-13/h4-9,13H,2-3,10-12H2,1H3,(H,22,25)
InChIKeySMZQWRHMXWITLI-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.91
Rot. Bonds7

About N-[[5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide

N-[[5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 53126180) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[[5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
PubChem CID53126180
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-[[5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
SMILESCOc1ccc(C2(c3nc(-c4ccc(CNC(=O)C5CC5)s4)no3)CC2)cc1
InChIInChI=1S/C21H21N3O3S/c1-26-15-6-4-14(5-7-15)21(10-11-21)20-23-18(24-27-20)17-9-8-16(28-17)12-22-19(25)13-2-3-13/h4-9,13H,2-3,10-12H2,1H3,(H,22,25)
InChIKeySMZQWRHMXWITLI-UHFFFAOYSA-N
XLogP3.91
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide 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

N-[[5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 53126134
3-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]cyclopentane-1-carboxamide
CID 119815744
N-[[5-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 53126126
N-[[5-[5-(2-phenylethenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 71843324
N-[[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]cyclobutanecarboxamide
CID 53156123
N-[[5-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 53126197
cis-(1R,2S)-2-[[5-(4-methoxyphenyl)thiophen-2-yl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 125118624
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 22519605
N-[[5-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
CID 95092058
2-(cyclopropylmethylamino)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]acetamide
CID 119815758
2-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropane-1-carboxamide
CID 142423263
N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropanecarboxamide
CID 94261270

Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide (CID 53126180) is N-[[5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide is COc1ccc(C2(c3nc(-c4ccc(CNC(=O)C5CC5)s4)no3)CC2)cc1.
What is the InChIKey of N-[[5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is SMZQWRHMXWITLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-26-15-6-4-14(5-7-15)21(10-11-21)20-23-18(24-27-20)17-9-8-16(28-17)12-22-19(25)13-2-3-13/h4-9,13H,2-3,10-12H2,1H3,(H,22,25).
What are the key properties of N-[[5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide?
N-[[5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 395.48 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 53126180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).