(3-tert-butyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine

C13H23N3O — CID 54901778

IUPAC(3-tert-butyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine
SMILESCC(C)(C)c1noc(C(N)C2CCCCC2)n1
InChIInChI=1S/C13H23N3O/c1-13(2,3)12-15-11(17-16-12)10(14)9-7-5-4-6-8-9/h9-10H,4-8,14H2,1-3H3
InChIKeyHWOOBUWAAJRFCR-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.95
Rot. Bonds2

About (3-tert-butyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine

(3-tert-butyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine (PubChem CID 54901778) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (3-tert-butyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine.

Molecular Properties

Compound Name(3-tert-butyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine
PubChem CID54901778
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(3-tert-butyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine
SMILESCC(C)(C)c1noc(C(N)C2CCCCC2)n1
InChIInChI=1S/C13H23N3O/c1-13(2,3)12-15-11(17-16-12)10(14)9-7-5-4-6-8-9/h9-10H,4-8,14H2,1-3H3
InChIKeyHWOOBUWAAJRFCR-UHFFFAOYSA-N
XLogP2.95
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine?
The IUPAC name of (3-tert-butyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine (CID 54901778) is (3-tert-butyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine.
What is the SMILES notation for (3-tert-butyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine?
The canonical SMILES for (3-tert-butyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine is CC(C)(C)c1noc(C(N)C2CCCCC2)n1.
What is the InChIKey of (3-tert-butyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine?
The InChIKey is HWOOBUWAAJRFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-13(2,3)12-15-11(17-16-12)10(14)9-7-5-4-6-8-9/h9-10H,4-8,14H2,1-3H3.
What are the key properties of (3-tert-butyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine?
(3-tert-butyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine has a molecular weight of 237.35 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine is sourced from PubChem (CID 54901778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).