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

C16H28N2OS — CID 106927829

IUPACN-[1-cyclohexyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]propan-1-amine
SMILESCCCNC(CSc1nc(C)c(C)o1)C1CCCCC1
InChIInChI=1S/C16H28N2OS/c1-4-10-17-15(14-8-6-5-7-9-14)11-20-16-18-12(2)13(3)19-16/h14-15,17H,4-11H2,1-3H3
InChIKeyGFQLRZSNJICXHQ-UHFFFAOYSA-N
MW296.48 g/mol
LogP4.33
Rot. Bonds7

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

N-[1-cyclohexyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]propan-1-amine (PubChem CID 106927829) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclohexyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]propan-1-amine
PubChem CID106927829
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-[1-cyclohexyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]propan-1-amine
SMILESCCCNC(CSc1nc(C)c(C)o1)C1CCCCC1
InChIInChI=1S/C16H28N2OS/c1-4-10-17-15(14-8-6-5-7-9-14)11-20-16-18-12(2)13(3)19-16/h14-15,17H,4-11H2,1-3H3
InChIKeyGFQLRZSNJICXHQ-UHFFFAOYSA-N
XLogP4.33
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclohexyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]propan-1-amine (CID 106927829) is N-[1-cyclohexyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclohexyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclohexyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]propan-1-amine is CCCNC(CSc1nc(C)c(C)o1)C1CCCCC1.
What is the InChIKey of N-[1-cyclohexyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]propan-1-amine?
The InChIKey is GFQLRZSNJICXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-4-10-17-15(14-8-6-5-7-9-14)11-20-16-18-12(2)13(3)19-16/h14-15,17H,4-11H2,1-3H3.
What are the key properties of N-[1-cyclohexyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]propan-1-amine?
N-[1-cyclohexyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]propan-1-amine has a molecular weight of 296.48 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]propan-1-amine is sourced from PubChem (CID 106927829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).