2-(1-hydroxycyclohexyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide

C15H19N3O3S — CID 111537358

IUPAC2-(1-hydroxycyclohexyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESO=C(CC1(O)CCCCC1)NCc1nc(-c2cccs2)no1
InChIInChI=1S/C15H19N3O3S/c19-12(9-15(20)6-2-1-3-7-15)16-10-13-17-14(18-21-13)11-5-4-8-22-11/h4-5,8,20H,1-3,6-7,9-10H2,(H,16,19)
InChIKeyXXXNRBBZGGQRPC-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.50
Rot. Bonds5

About 2-(1-hydroxycyclohexyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide

2-(1-hydroxycyclohexyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 111537358) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID111537358
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2-(1-hydroxycyclohexyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESO=C(CC1(O)CCCCC1)NCc1nc(-c2cccs2)no1
InChIInChI=1S/C15H19N3O3S/c19-12(9-15(20)6-2-1-3-7-15)16-10-13-17-14(18-21-13)11-5-4-8-22-11/h4-5,8,20H,1-3,6-7,9-10H2,(H,16,19)
InChIKeyXXXNRBBZGGQRPC-UHFFFAOYSA-N
XLogP2.50
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(1-hydroxycyclohexyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]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-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexanecarboxamide
CID 110293437
3-cyclopropyl-3-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 110310622
5-oxo-5-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 110354844
3-(benzenesulfonyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 110310602
4-fluoro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 27261087
2-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 93173363
2,3,4-trifluoro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 110293449
4-(4-tert-butylphenyl)-4-oxo-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 110310634
4-(3,4-dimethylphenyl)-4-oxo-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 110632073
4-cyano-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 51096359
N-(cyclohexylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 24679617
3-(3,5-dimethoxyphenyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 51127201

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 111537358) is 2-(1-hydroxycyclohexyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is O=C(CC1(O)CCCCC1)NCc1nc(-c2cccs2)no1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is XXXNRBBZGGQRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c19-12(9-15(20)6-2-1-3-7-15)16-10-13-17-14(18-21-13)11-5-4-8-22-11/h4-5,8,20H,1-3,6-7,9-10H2,(H,16,19).
What are the key properties of 2-(1-hydroxycyclohexyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
2-(1-hydroxycyclohexyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 321.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 111537358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).