4-(1,2,4-oxadiazol-3-ylmethoxy)cyclohexan-1-amine

C9H15N3O2 — CID 62807753

IUPAC4-(1,2,4-oxadiazol-3-ylmethoxy)cyclohexan-1-amine
SMILESNC1CCC(OCc2ncon2)CC1
InChIInChI=1S/C9H15N3O2/c10-7-1-3-8(4-2-7)13-5-9-11-6-14-12-9/h6-8H,1-5,10H2
InChIKeyIHVBSMOPOFJJTI-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.86
Rot. Bonds3

About 4-(1,2,4-oxadiazol-3-ylmethoxy)cyclohexan-1-amine

4-(1,2,4-oxadiazol-3-ylmethoxy)cyclohexan-1-amine (PubChem CID 62807753) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-(1,2,4-oxadiazol-3-ylmethoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(1,2,4-oxadiazol-3-ylmethoxy)cyclohexan-1-amine
PubChem CID62807753
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-(1,2,4-oxadiazol-3-ylmethoxy)cyclohexan-1-amine
SMILESNC1CCC(OCc2ncon2)CC1
InChIInChI=1S/C9H15N3O2/c10-7-1-3-8(4-2-7)13-5-9-11-6-14-12-9/h6-8H,1-5,10H2
InChIKeyIHVBSMOPOFJJTI-UHFFFAOYSA-N
XLogP0.86
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-oxadiazol-3-ylmethoxy)cyclohexan-1-amine?
The IUPAC name of 4-(1,2,4-oxadiazol-3-ylmethoxy)cyclohexan-1-amine (CID 62807753) is 4-(1,2,4-oxadiazol-3-ylmethoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-(1,2,4-oxadiazol-3-ylmethoxy)cyclohexan-1-amine?
The canonical SMILES for 4-(1,2,4-oxadiazol-3-ylmethoxy)cyclohexan-1-amine is NC1CCC(OCc2ncon2)CC1.
What is the InChIKey of 4-(1,2,4-oxadiazol-3-ylmethoxy)cyclohexan-1-amine?
The InChIKey is IHVBSMOPOFJJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c10-7-1-3-8(4-2-7)13-5-9-11-6-14-12-9/h6-8H,1-5,10H2.
What are the key properties of 4-(1,2,4-oxadiazol-3-ylmethoxy)cyclohexan-1-amine?
4-(1,2,4-oxadiazol-3-ylmethoxy)cyclohexan-1-amine has a molecular weight of 197.24 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-oxadiazol-3-ylmethoxy)cyclohexan-1-amine is sourced from PubChem (CID 62807753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).