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

C16H12ClN3O2S — CID 53163806

IUPACN-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccsc1-c1nc(-c2ccc(Cl)cc2)no1)C1CC1
InChIInChI=1S/C16H12ClN3O2S/c17-11-5-3-9(4-6-11)14-19-16(22-20-14)13-12(7-8-23-13)18-15(21)10-1-2-10/h3-8,10H,1-2H2,(H,18,21)
InChIKeyRIRXNSOFIWFLRN-UHFFFAOYSA-N
MW345.81 g/mol
LogP4.47
Rot. Bonds4

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

N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]cyclopropanecarboxamide (PubChem CID 53163806) has the molecular formula C16H12ClN3O2S and a molecular weight of 345.81 g/mol. Its IUPAC name is N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]cyclopropanecarboxamide
PubChem CID53163806
Molecular FormulaC16H12ClN3O2S
Molecular Weight345.81 g/mol
Exact Mass345.03
IUPAC NameN-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccsc1-c1nc(-c2ccc(Cl)cc2)no1)C1CC1
InChIInChI=1S/C16H12ClN3O2S/c17-11-5-3-9(4-6-11)14-19-16(22-20-14)13-12(7-8-23-13)18-15(21)10-1-2-10/h3-8,10H,1-2H2,(H,18,21)
InChIKeyRIRXNSOFIWFLRN-UHFFFAOYSA-N
XLogP4.47
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]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-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]cyclopropanecarboxamide
CID 90607872
N-[1-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 53163802
2-chloro-5-fluoro-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide
CID 53163782
1-(4-chlorophenyl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea
CID 90607712
3-chloro-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 90607906
4-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 80641650
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 38157005
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]propanamide
CID 90607864
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,4-difluorobenzamide
CID 90607912
methyl 4-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoate
CID 22147847
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylbenzamide
CID 53163764
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone
CID 63346525

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]cyclopropanecarboxamide (CID 53163806) is N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]cyclopropanecarboxamide is O=C(Nc1ccsc1-c1nc(-c2ccc(Cl)cc2)no1)C1CC1.
What is the InChIKey of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]cyclopropanecarboxamide?
The InChIKey is RIRXNSOFIWFLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2S/c17-11-5-3-9(4-6-11)14-19-16(22-20-14)13-12(7-8-23-13)18-15(21)10-1-2-10/h3-8,10H,1-2H2,(H,18,21).
What are the key properties of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]cyclopropanecarboxamide?
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]cyclopropanecarboxamide has a molecular weight of 345.81 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 53163806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).