4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine

C14H23N3O2 — CID 66248370

IUPAC4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine
SMILESCC1(c2nc(C3CCCCCC3)no2)COCC1N
InChIInChI=1S/C14H23N3O2/c1-14(9-18-8-11(14)15)13-16-12(17-19-13)10-6-4-2-3-5-7-10/h10-11H,2-9,15H2,1H3
InChIKeyMTXHZTBAOKLVGT-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.12
Rot. Bonds2

About 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine

4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine (PubChem CID 66248370) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine.

Molecular Properties

Compound Name4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine
PubChem CID66248370
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine
SMILESCC1(c2nc(C3CCCCCC3)no2)COCC1N
InChIInChI=1S/C14H23N3O2/c1-14(9-18-8-11(14)15)13-16-12(17-19-13)10-6-4-2-3-5-7-10/h10-11H,2-9,15H2,1H3
InChIKeyMTXHZTBAOKLVGT-UHFFFAOYSA-N
XLogP2.12
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine?
The IUPAC name of 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine (CID 66248370) is 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine.
What is the SMILES notation for 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine?
The canonical SMILES for 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine is CC1(c2nc(C3CCCCCC3)no2)COCC1N.
What is the InChIKey of 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine?
The InChIKey is MTXHZTBAOKLVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(9-18-8-11(14)15)13-16-12(17-19-13)10-6-4-2-3-5-7-10/h10-11H,2-9,15H2,1H3.
What are the key properties of 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine?
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine has a molecular weight of 265.36 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine is sourced from PubChem (CID 66248370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).