2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-ethyl-N-propylcyclohexan-1-amine

C16H28N2OS — CID 106928037

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-ethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(CC)CC1Sc1nc(C)c(C)o1
InChIInChI=1S/C16H28N2OS/c1-5-9-17-14-8-7-13(6-2)10-15(14)20-16-18-11(3)12(4)19-16/h13-15,17H,5-10H2,1-4H3
InChIKeyYDMHPWBLANBYBK-UHFFFAOYSA-N
MW296.48 g/mol
LogP4.33
Rot. Bonds6

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-ethyl-N-propylcyclohexan-1-amine

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-ethyl-N-propylcyclohexan-1-amine (PubChem CID 106928037) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-ethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-ethyl-N-propylcyclohexan-1-amine
PubChem CID106928037
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-ethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(CC)CC1Sc1nc(C)c(C)o1
InChIInChI=1S/C16H28N2OS/c1-5-9-17-14-8-7-13(6-2)10-15(14)20-16-18-11(3)12(4)19-16/h13-15,17H,5-10H2,1-4H3
InChIKeyYDMHPWBLANBYBK-UHFFFAOYSA-N
XLogP4.33
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-ethyl-N-propylcyclohexan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

4-ethyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine
CID 64621345
4-ethyl-N-propyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine
CID 64627044
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylcyclopentan-1-amine
CID 106928073
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 106927972
3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanylbutan-1-ol
CID 66135997
3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanyl-2-methylpropan-1-ol
CID 66103015
2-(cyclopropylmethylsulfanyl)-4,5-dimethyl-1,3-oxazole
CID 131207208
N,4-diethyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine
CID 64634854
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine
CID 106927686
4-methyl-2-(2-methylfuran-3-yl)sulfanyl-N-propylcyclohexan-1-amine
CID 114001243
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine
CID 106927949
2-[(3,5-dimethylphenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine
CID 63403450

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-ethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-ethyl-N-propylcyclohexan-1-amine (CID 106928037) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-ethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-ethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-ethyl-N-propylcyclohexan-1-amine is CCCNC1CCC(CC)CC1Sc1nc(C)c(C)o1.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-ethyl-N-propylcyclohexan-1-amine?
The InChIKey is YDMHPWBLANBYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-5-9-17-14-8-7-13(6-2)10-15(14)20-16-18-11(3)12(4)19-16/h13-15,17H,5-10H2,1-4H3.
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-ethyl-N-propylcyclohexan-1-amine?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-ethyl-N-propylcyclohexan-1-amine has a molecular weight of 296.48 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-ethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 106928037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).