3-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-4-methylsulfanylbutan-1-ol

C15H27N3O2S — CID 110012282

IUPAC3-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-4-methylsulfanylbutan-1-ol
SMILESCCc1noc(C2CCC(NC(CCO)CSC)CC2)n1
InChIInChI=1S/C15H27N3O2S/c1-3-14-17-15(20-18-14)11-4-6-12(7-5-11)16-13(8-9-19)10-21-2/h11-13,16,19H,3-10H2,1-2H3
InChIKeyAMMJPEJLTWRQFA-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.36
Rot. Bonds8

About 3-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-4-methylsulfanylbutan-1-ol

3-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-4-methylsulfanylbutan-1-ol (PubChem CID 110012282) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 3-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-4-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-4-methylsulfanylbutan-1-ol
PubChem CID110012282
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name3-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-4-methylsulfanylbutan-1-ol
SMILESCCc1noc(C2CCC(NC(CCO)CSC)CC2)n1
InChIInChI=1S/C15H27N3O2S/c1-3-14-17-15(20-18-14)11-4-6-12(7-5-11)16-13(8-9-19)10-21-2/h11-13,16,19H,3-10H2,1-2H3
InChIKeyAMMJPEJLTWRQFA-UHFFFAOYSA-N
XLogP2.36
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-4-methylsulfanylbutan-1-ol with MolForge

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Related Compounds

3-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pentan-1-ol
CID 110013337
3-(cyclopentylamino)-4-methylsulfanylbutan-1-ol
CID 111449593
N-methyl-4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63351991
[2-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-1-methylcyclopentyl]methanol
CID 75473258
4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 60812048
[2-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]phenyl]methanol
CID 110013138
2-[[5-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-2-pyridinyl]oxy]ethanol
CID 110013550
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 65129910
N-methyl-4-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65137412
2-[[6-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-3-pyridinyl]-methylamino]ethanol
CID 110013500
cis-(1S,3R)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 106323160
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propan-1-ol
CID 115659683

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-4-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-4-methylsulfanylbutan-1-ol (CID 110012282) is 3-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-4-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-4-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-4-methylsulfanylbutan-1-ol is CCc1noc(C2CCC(NC(CCO)CSC)CC2)n1.
What is the InChIKey of 3-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-4-methylsulfanylbutan-1-ol?
The InChIKey is AMMJPEJLTWRQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-3-14-17-15(20-18-14)11-4-6-12(7-5-11)16-13(8-9-19)10-21-2/h11-13,16,19H,3-10H2,1-2H3.
What are the key properties of 3-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-4-methylsulfanylbutan-1-ol?
3-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-4-methylsulfanylbutan-1-ol has a molecular weight of 313.47 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-4-methylsulfanylbutan-1-ol is sourced from PubChem (CID 110012282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).