[4-(1,3-oxazol-2-yl)cyclohexyl]methanamine

C10H16N2O — CID 82408869

IUPAC[4-(1,3-oxazol-2-yl)cyclohexyl]methanamine
SMILESNCC1CCC(c2ncco2)CC1
InChIInChI=1S/C10H16N2O/c11-7-8-1-3-9(4-2-8)10-12-5-6-13-10/h5-6,8-9H,1-4,7,11H2
InChIKeyYAOILMGVXLSSQH-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.91
Rot. Bonds2

About [4-(1,3-oxazol-2-yl)cyclohexyl]methanamine

[4-(1,3-oxazol-2-yl)cyclohexyl]methanamine (PubChem CID 82408869) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is [4-(1,3-oxazol-2-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(1,3-oxazol-2-yl)cyclohexyl]methanamine
PubChem CID82408869
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name[4-(1,3-oxazol-2-yl)cyclohexyl]methanamine
SMILESNCC1CCC(c2ncco2)CC1
InChIInChI=1S/C10H16N2O/c11-7-8-1-3-9(4-2-8)10-12-5-6-13-10/h5-6,8-9H,1-4,7,11H2
InChIKeyYAOILMGVXLSSQH-UHFFFAOYSA-N
XLogP1.91
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-oxazol-2-yl)cyclohexyl]methanamine?
The IUPAC name of [4-(1,3-oxazol-2-yl)cyclohexyl]methanamine (CID 82408869) is [4-(1,3-oxazol-2-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-(1,3-oxazol-2-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-(1,3-oxazol-2-yl)cyclohexyl]methanamine is NCC1CCC(c2ncco2)CC1.
What is the InChIKey of [4-(1,3-oxazol-2-yl)cyclohexyl]methanamine?
The InChIKey is YAOILMGVXLSSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c11-7-8-1-3-9(4-2-8)10-12-5-6-13-10/h5-6,8-9H,1-4,7,11H2.
What are the key properties of [4-(1,3-oxazol-2-yl)cyclohexyl]methanamine?
[4-(1,3-oxazol-2-yl)cyclohexyl]methanamine has a molecular weight of 180.25 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-oxazol-2-yl)cyclohexyl]methanamine is sourced from PubChem (CID 82408869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).