(4-cyclohexyl-5-propan-2-yl-1,3-oxazol-2-yl)methanamine

C13H22N2O — CID 105479719

IUPAC(4-cyclohexyl-5-propan-2-yl-1,3-oxazol-2-yl)methanamine
SMILESCC(C)c1oc(CN)nc1C1CCCCC1
InChIInChI=1S/C13H22N2O/c1-9(2)13-12(15-11(8-14)16-13)10-6-4-3-5-7-10/h9-10H,3-8,14H2,1-2H3
InChIKeyNKUJLEZSUSUGNC-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.30
Rot. Bonds3

About (4-cyclohexyl-5-propan-2-yl-1,3-oxazol-2-yl)methanamine

(4-cyclohexyl-5-propan-2-yl-1,3-oxazol-2-yl)methanamine (PubChem CID 105479719) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (4-cyclohexyl-5-propan-2-yl-1,3-oxazol-2-yl)methanamine.

Molecular Properties

Compound Name(4-cyclohexyl-5-propan-2-yl-1,3-oxazol-2-yl)methanamine
PubChem CID105479719
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(4-cyclohexyl-5-propan-2-yl-1,3-oxazol-2-yl)methanamine
SMILESCC(C)c1oc(CN)nc1C1CCCCC1
InChIInChI=1S/C13H22N2O/c1-9(2)13-12(15-11(8-14)16-13)10-6-4-3-5-7-10/h9-10H,3-8,14H2,1-2H3
InChIKeyNKUJLEZSUSUGNC-UHFFFAOYSA-N
XLogP3.30
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-cyclohexyl-4-methyl-1,3-oxazol-2-yl)methanamine
CID 105448363
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine
CID 65390292
(2-cyclohexyl-4-propan-2-yl-1H-imidazol-5-yl)methanamine
CID 82373843
(2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)methanamine
CID 82507667
(4-cyclohexyl-5-methyl-1,3-thiazol-2-yl)methanamine
CID 105464505
(4-cyclohexyl-1,2,5-oxadiazol-3-yl)methanamine
CID 82408362
3-cyclooctyl-5-propan-2-yl-1,2-oxazole-4-carboxylic acid
CID 114207942
1-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)propan-2-amine
CID 84666403
(4-cyclopentyl-2-methyl-1H-imidazol-5-yl)methanamine
CID 82373877
1-(5-cyclohexylfuran-2-yl)ethanamine
CID 83830495
3-cyclooctyl-N-ethylazirin-2-imine
CID 155057050
2-(2-cyclohexyl-1,3-oxazol-5-yl)propan-1-amine
CID 115087448

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexyl-5-propan-2-yl-1,3-oxazol-2-yl)methanamine?
The IUPAC name of (4-cyclohexyl-5-propan-2-yl-1,3-oxazol-2-yl)methanamine (CID 105479719) is (4-cyclohexyl-5-propan-2-yl-1,3-oxazol-2-yl)methanamine.
What is the SMILES notation for (4-cyclohexyl-5-propan-2-yl-1,3-oxazol-2-yl)methanamine?
The canonical SMILES for (4-cyclohexyl-5-propan-2-yl-1,3-oxazol-2-yl)methanamine is CC(C)c1oc(CN)nc1C1CCCCC1.
What is the InChIKey of (4-cyclohexyl-5-propan-2-yl-1,3-oxazol-2-yl)methanamine?
The InChIKey is NKUJLEZSUSUGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(2)13-12(15-11(8-14)16-13)10-6-4-3-5-7-10/h9-10H,3-8,14H2,1-2H3.
What are the key properties of (4-cyclohexyl-5-propan-2-yl-1,3-oxazol-2-yl)methanamine?
(4-cyclohexyl-5-propan-2-yl-1,3-oxazol-2-yl)methanamine has a molecular weight of 222.33 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexyl-5-propan-2-yl-1,3-oxazol-2-yl)methanamine is sourced from PubChem (CID 105479719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).