5-(chloromethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine

C10H16ClN3O — CID 106957108

IUPAC5-(chloromethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine
SMILESCC1(Nc2nnc(CCl)o2)CCCCC1
InChIInChI=1S/C10H16ClN3O/c1-10(5-3-2-4-6-10)12-9-14-13-8(7-11)15-9/h2-7H2,1H3,(H,12,14)
InChIKeyJZNPYTLWKBXYSU-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.94
Rot. Bonds3

About 5-(chloromethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine

5-(chloromethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106957108) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 5-(chloromethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine
PubChem CID106957108
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name5-(chloromethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine
SMILESCC1(Nc2nnc(CCl)o2)CCCCC1
InChIInChI=1S/C10H16ClN3O/c1-10(5-3-2-4-6-10)12-9-14-13-8(7-11)15-9/h2-7H2,1H3,(H,12,14)
InChIKeyJZNPYTLWKBXYSU-UHFFFAOYSA-N
XLogP2.94
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(chloromethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine (CID 106957108) is 5-(chloromethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine is CC1(Nc2nnc(CCl)o2)CCCCC1.
What is the InChIKey of 5-(chloromethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is JZNPYTLWKBXYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-10(5-3-2-4-6-10)12-9-14-13-8(7-11)15-9/h2-7H2,1H3,(H,12,14).
What are the key properties of 5-(chloromethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine?
5-(chloromethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 229.71 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106957108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).