N-cyclohexyl-2-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide

C17H21N3O3S — CID 6490107

IUPACN-cyclohexyl-2-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
SMILESO=C(Cn1nc(-c2cc3c(s2)CCC3)oc1=O)NC1CCCCC1
InChIInChI=1S/C17H21N3O3S/c21-15(18-12-6-2-1-3-7-12)10-20-17(22)23-16(19-20)14-9-11-5-4-8-13(11)24-14/h9,12H,1-8,10H2,(H,18,21)
InChIKeyDSSOHTUBRUWIOL-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.50
Rot. Bonds4

About N-cyclohexyl-2-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide

N-cyclohexyl-2-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide (PubChem CID 6490107) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-cyclohexyl-2-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
PubChem CID6490107
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-cyclohexyl-2-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
SMILESO=C(Cn1nc(-c2cc3c(s2)CCC3)oc1=O)NC1CCCCC1
InChIInChI=1S/C17H21N3O3S/c21-15(18-12-6-2-1-3-7-12)10-20-17(22)23-16(19-20)14-9-11-5-4-8-13(11)24-14/h9,12H,1-8,10H2,(H,18,21)
InChIKeyDSSOHTUBRUWIOL-UHFFFAOYSA-N
XLogP2.50
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-2-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide 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-tert-butyl-2-[2-oxo-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-3-yl]acetamide
CID 6492018
N-(oxan-4-yl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 60556897
N-cyclopentyl-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)acetamide
CID 61207061
N-cyclohexyl-2-(3,5-dibromopyrazol-1-yl)acetamide
CID 114692778
N-cyclopentyl-2-[5-(4-methoxynaphthalen-1-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 6490135
N-(cyclopentylcarbamoyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 27040105
N-cyclopropyl-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 75465729
N-cyclopropyl-2-[4-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]propanamide
CID 112806887
N-cycloheptyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7996122
N-cyclooctyl-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)acetamide
CID 18195211
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9210739
N-cyclopentyl-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propanamide
CID 61207988

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide (CID 6490107) is N-cyclohexyl-2-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide is O=C(Cn1nc(-c2cc3c(s2)CCC3)oc1=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide?
The InChIKey is DSSOHTUBRUWIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c21-15(18-12-6-2-1-3-7-12)10-20-17(22)23-16(19-20)14-9-11-5-4-8-13(11)24-14/h9,12H,1-8,10H2,(H,18,21).
What are the key properties of N-cyclohexyl-2-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide?
N-cyclohexyl-2-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide has a molecular weight of 347.44 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 6490107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).