5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine

C9H15N3O — CID 28780022

IUPAC5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(CC2CCCCC2)o1
InChIInChI=1S/C9H15N3O/c10-9-12-11-8(13-9)6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,10,12)
InChIKeyPIOZWIHCOPGZAV-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.77
Rot. Bonds2

About 5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine

5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 28780022) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID28780022
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(CC2CCCCC2)o1
InChIInChI=1S/C9H15N3O/c10-9-12-11-8(13-9)6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,10,12)
InChIKeyPIOZWIHCOPGZAV-UHFFFAOYSA-N
XLogP1.77
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine (CID 28780022) is 5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine is Nc1nnc(CC2CCCCC2)o1.
What is the InChIKey of 5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is PIOZWIHCOPGZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-9-12-11-8(13-9)6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,10,12).
What are the key properties of 5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine?
5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 181.24 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 28780022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).