2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine

C14H25N3O — CID 65425586

IUPAC2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC(CN)c1nc(C2CCC(C(C)C)CC2)no1
InChIInChI=1S/C14H25N3O/c1-9(2)11-4-6-12(7-5-11)13-16-14(18-17-13)10(3)8-15/h9-12H,4-8,15H2,1-3H3
InChIKeyPGJLKMLFCRNCFE-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.06
Rot. Bonds4

About 2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine

2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 65425586) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID65425586
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC(CN)c1nc(C2CCC(C(C)C)CC2)no1
InChIInChI=1S/C14H25N3O/c1-9(2)11-4-6-12(7-5-11)13-16-14(18-17-13)10(3)8-15/h9-12H,4-8,15H2,1-3H3
InChIKeyPGJLKMLFCRNCFE-UHFFFAOYSA-N
XLogP3.06
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 65425586) is 2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CC(CN)c1nc(C2CCC(C(C)C)CC2)no1.
What is the InChIKey of 2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is PGJLKMLFCRNCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-9(2)11-4-6-12(7-5-11)13-16-14(18-17-13)10(3)8-15/h9-12H,4-8,15H2,1-3H3.
What are the key properties of 2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 65425586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).