[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexyl]methanamine

C14H24N2OS — CID 106923838

IUPAC[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(Sc2nc(C)co2)C1
InChIInChI=1S/C14H24N2OS/c1-3-4-11-5-6-12(8-15)13(7-11)18-14-16-10(2)9-17-14/h9,11-13H,3-8,15H2,1-2H3
InChIKeyAYBLKMRDOZWRRD-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.62
Rot. Bonds5

About [2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexyl]methanamine

[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexyl]methanamine (PubChem CID 106923838) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is [2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexyl]methanamine
PubChem CID106923838
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(Sc2nc(C)co2)C1
InChIInChI=1S/C14H24N2OS/c1-3-4-11-5-6-12(8-15)13(7-11)18-14-16-10(2)9-17-14/h9,11-13H,3-8,15H2,1-2H3
InChIKeyAYBLKMRDOZWRRD-UHFFFAOYSA-N
XLogP3.62
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexyl]methanamine (CID 106923838) is [2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(Sc2nc(C)co2)C1.
What is the InChIKey of [2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexyl]methanamine?
The InChIKey is AYBLKMRDOZWRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-3-4-11-5-6-12(8-15)13(7-11)18-14-16-10(2)9-17-14/h9,11-13H,3-8,15H2,1-2H3.
What are the key properties of [2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexyl]methanamine?
[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexyl]methanamine has a molecular weight of 268.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 106923838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).