N-cyclohexyl-5,5-dideuterio-4H-1,3-oxazol-2-amine

C9H16N2O — CID 12696606

IUPACN-cyclohexyl-5,5-dideuterio-4H-1,3-oxazol-2-amine
SMILES[2H]C1([2H])CN=C(NC2CCCCC2)O1
InChIInChI=1S/C9H16N2O/c1-2-4-8(5-3-1)11-9-10-6-7-12-9/h8H,1-7H2,(H,10,11)/i7D2
InChIKeyXTZPBUFHOVLKQR-RJSZUWSASA-N
MW170.25 g/mol
LogP1.29
Rot. Bonds1

About N-cyclohexyl-5,5-dideuterio-4H-1,3-oxazol-2-amine

N-cyclohexyl-5,5-dideuterio-4H-1,3-oxazol-2-amine (PubChem CID 12696606) has the molecular formula C9H16N2O and a molecular weight of 170.25 g/mol. Its IUPAC name is N-cyclohexyl-5,5-dideuterio-4H-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-5,5-dideuterio-4H-1,3-oxazol-2-amine
PubChem CID12696606
Molecular FormulaC9H16N2O
Molecular Weight170.25 g/mol
Exact Mass170.14
IUPAC NameN-cyclohexyl-5,5-dideuterio-4H-1,3-oxazol-2-amine
SMILES[2H]C1([2H])CN=C(NC2CCCCC2)O1
InChIInChI=1S/C9H16N2O/c1-2-4-8(5-3-1)11-9-10-6-7-12-9/h8H,1-7H2,(H,10,11)/i7D2
InChIKeyXTZPBUFHOVLKQR-RJSZUWSASA-N
XLogP1.29
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5,5-dideuterio-4H-1,3-oxazol-2-amine?
The IUPAC name of N-cyclohexyl-5,5-dideuterio-4H-1,3-oxazol-2-amine (CID 12696606) is N-cyclohexyl-5,5-dideuterio-4H-1,3-oxazol-2-amine.
What is the SMILES notation for N-cyclohexyl-5,5-dideuterio-4H-1,3-oxazol-2-amine?
The canonical SMILES for N-cyclohexyl-5,5-dideuterio-4H-1,3-oxazol-2-amine is [2H]C1([2H])CN=C(NC2CCCCC2)O1.
What is the InChIKey of N-cyclohexyl-5,5-dideuterio-4H-1,3-oxazol-2-amine?
The InChIKey is XTZPBUFHOVLKQR-RJSZUWSASA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-4-8(5-3-1)11-9-10-6-7-12-9/h8H,1-7H2,(H,10,11)/i7D2.
What are the key properties of N-cyclohexyl-5,5-dideuterio-4H-1,3-oxazol-2-amine?
N-cyclohexyl-5,5-dideuterio-4H-1,3-oxazol-2-amine has a molecular weight of 170.25 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5,5-dideuterio-4H-1,3-oxazol-2-amine is sourced from PubChem (CID 12696606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).