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

C16H28N2OS — CID 106927920

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1Sc1nc(C)c(C)o1
InChIInChI=1S/C16H28N2OS/c1-6-7-17-14-9-10(2)8-11(3)15(14)20-16-18-12(4)13(5)19-16/h10-11,14-15,17H,6-9H2,1-5H3
InChIKeyAFYYHYSRWKSCBD-UHFFFAOYSA-N
MW296.48 g/mol
LogP4.19
Rot. Bonds5

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

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,5-dimethyl-N-propylcyclohexan-1-amine (PubChem CID 106927920) 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]-3,5-dimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
PubChem CID106927920
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1Sc1nc(C)c(C)o1
InChIInChI=1S/C16H28N2OS/c1-6-7-17-14-9-10(2)8-11(3)15(14)20-16-18-12(4)13(5)19-16/h10-11,14-15,17H,6-9H2,1-5H3
InChIKeyAFYYHYSRWKSCBD-UHFFFAOYSA-N
XLogP4.19
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,5-dimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,5-dimethyl-N-propylcyclohexan-1-amine (CID 106927920) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,5-dimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,5-dimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,5-dimethyl-N-propylcyclohexan-1-amine is CCCNC1CC(C)CC(C)C1Sc1nc(C)c(C)o1.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,5-dimethyl-N-propylcyclohexan-1-amine?
The InChIKey is AFYYHYSRWKSCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-6-7-17-14-9-10(2)8-11(3)15(14)20-16-18-12(4)13(5)19-16/h10-11,14-15,17H,6-9H2,1-5H3.
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,5-dimethyl-N-propylcyclohexan-1-amine?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,5-dimethyl-N-propylcyclohexan-1-amine has a molecular weight of 296.48 g/mol, XLogP of 4.19, 5 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]-3,5-dimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 106927920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).