2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine

C15H21N3OS — CID 65423267

IUPAC2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
SMILESCC(C)C1CCC(c2noc(-c3sccc3N)n2)CC1
InChIInChI=1S/C15H21N3OS/c1-9(2)10-3-5-11(6-4-10)14-17-15(19-18-14)13-12(16)7-8-20-13/h7-11H,3-6,16H2,1-2H3
InChIKeyXECNKPHAJBSOJM-UHFFFAOYSA-N
MW291.42 g/mol
LogP4.31
Rot. Bonds3

About 2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine

2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine (PubChem CID 65423267) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine.

Molecular Properties

Compound Name2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
PubChem CID65423267
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
SMILESCC(C)C1CCC(c2noc(-c3sccc3N)n2)CC1
InChIInChI=1S/C15H21N3OS/c1-9(2)10-3-5-11(6-4-10)14-17-15(19-18-14)13-12(16)7-8-20-13/h7-11H,3-6,16H2,1-2H3
InChIKeyXECNKPHAJBSOJM-UHFFFAOYSA-N
XLogP4.31
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 65331281
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]propanamide
CID 90607864
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-3-amine
CID 29034351
5-(3-aminothiophen-2-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 116799632
3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65389774
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)thiophene-3-carbonitrile
CID 106525087
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)thiophene-3-carbonitrile
CID 106526006
3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65395135
2,3-dimethyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65425779
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]cyclopropanecarboxamide
CID 90607872
2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 79669288
3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65400222

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
The IUPAC name of 2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine (CID 65423267) is 2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine.
What is the SMILES notation for 2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
The canonical SMILES for 2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine is CC(C)C1CCC(c2noc(-c3sccc3N)n2)CC1.
What is the InChIKey of 2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
The InChIKey is XECNKPHAJBSOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-9(2)10-3-5-11(6-4-10)14-17-15(19-18-14)13-12(16)7-8-20-13/h7-11H,3-6,16H2,1-2H3.
What are the key properties of 2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine has a molecular weight of 291.42 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine is sourced from PubChem (CID 65423267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).