3-(4-cyclohexyl-1,3-oxazol-2-yl)propan-1-amine

C12H20N2O — CID 115026031

IUPAC3-(4-cyclohexyl-1,3-oxazol-2-yl)propan-1-amine
SMILESNCCCc1nc(C2CCCCC2)co1
InChIInChI=1S/C12H20N2O/c13-8-4-7-12-14-11(9-15-12)10-5-2-1-3-6-10/h9-10H,1-8,13H2
InChIKeyICADYZFBPGRFPI-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.61
Rot. Bonds4

About 3-(4-cyclohexyl-1,3-oxazol-2-yl)propan-1-amine

3-(4-cyclohexyl-1,3-oxazol-2-yl)propan-1-amine (PubChem CID 115026031) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-(4-cyclohexyl-1,3-oxazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-cyclohexyl-1,3-oxazol-2-yl)propan-1-amine
PubChem CID115026031
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-(4-cyclohexyl-1,3-oxazol-2-yl)propan-1-amine
SMILESNCCCc1nc(C2CCCCC2)co1
InChIInChI=1S/C12H20N2O/c13-8-4-7-12-14-11(9-15-12)10-5-2-1-3-6-10/h9-10H,1-8,13H2
InChIKeyICADYZFBPGRFPI-UHFFFAOYSA-N
XLogP2.61
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexyl-1,3-oxazol-2-yl)propan-1-amine?
The IUPAC name of 3-(4-cyclohexyl-1,3-oxazol-2-yl)propan-1-amine (CID 115026031) is 3-(4-cyclohexyl-1,3-oxazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(4-cyclohexyl-1,3-oxazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(4-cyclohexyl-1,3-oxazol-2-yl)propan-1-amine is NCCCc1nc(C2CCCCC2)co1.
What is the InChIKey of 3-(4-cyclohexyl-1,3-oxazol-2-yl)propan-1-amine?
The InChIKey is ICADYZFBPGRFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c13-8-4-7-12-14-11(9-15-12)10-5-2-1-3-6-10/h9-10H,1-8,13H2.
What are the key properties of 3-(4-cyclohexyl-1,3-oxazol-2-yl)propan-1-amine?
3-(4-cyclohexyl-1,3-oxazol-2-yl)propan-1-amine has a molecular weight of 208.30 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexyl-1,3-oxazol-2-yl)propan-1-amine is sourced from PubChem (CID 115026031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).