3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine

C16H23N3OS — CID 65390159

IUPAC3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
SMILESCc1sc(N)c(-c2nc(C3CCC(C)(C)CC3)no2)c1C
InChIInChI=1S/C16H23N3OS/c1-9-10(2)21-13(17)12(9)15-18-14(19-20-15)11-5-7-16(3,4)8-6-11/h11H,5-8,17H2,1-4H3
InChIKeyNXSHWKUIYYZPBL-UHFFFAOYSA-N
MW305.45 g/mol
LogP4.68
Rot. Bonds2

About 3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine

3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine (PubChem CID 65390159) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine.

Molecular Properties

Compound Name3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
PubChem CID65390159
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
SMILESCc1sc(N)c(-c2nc(C3CCC(C)(C)CC3)no2)c1C
InChIInChI=1S/C16H23N3OS/c1-9-10(2)21-13(17)12(9)15-18-14(19-20-15)11-5-7-16(3,4)8-6-11/h11H,5-8,17H2,1-4H3
InChIKeyNXSHWKUIYYZPBL-UHFFFAOYSA-N
XLogP4.68
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine with MolForge

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Related Compounds

4,5-dimethyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65329462
3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
CID 65412664
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-4-(trifluoromethyl)thiophen-2-amine
CID 118198992
3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65389774
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-amine
CID 118158662
5-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811681
4,5-dimethyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 79077443
4,5-dimethyl-3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 80691354
3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
CID 116703458
2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-iodoaniline
CID 65391547
4,5-dimethyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 43099726
2-[5-(2-amino-4,5-dimethylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104826974

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine?
The IUPAC name of 3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine (CID 65390159) is 3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine.
What is the SMILES notation for 3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine?
The canonical SMILES for 3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine is Cc1sc(N)c(-c2nc(C3CCC(C)(C)CC3)no2)c1C.
What is the InChIKey of 3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine?
The InChIKey is NXSHWKUIYYZPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-9-10(2)21-13(17)12(9)15-18-14(19-20-15)11-5-7-16(3,4)8-6-11/h11H,5-8,17H2,1-4H3.
What are the key properties of 3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine?
3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine has a molecular weight of 305.45 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine is sourced from PubChem (CID 65390159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).