1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine

C14H23N3O2 — CID 65159466

IUPAC1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
SMILESNC1(c2noc(CC3CCCO3)n2)CCCCCC1
InChIInChI=1S/C14H23N3O2/c15-14(7-3-1-2-4-8-14)13-16-12(19-17-13)10-11-6-5-9-18-11/h11H,1-10,15H2
InChIKeyPMBRERCNZRJHDY-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.30
Rot. Bonds3

About 1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine

1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine (PubChem CID 65159466) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
PubChem CID65159466
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
SMILESNC1(c2noc(CC3CCCO3)n2)CCCCCC1
InChIInChI=1S/C14H23N3O2/c15-14(7-3-1-2-4-8-14)13-16-12(19-17-13)10-11-6-5-9-18-11/h11H,1-10,15H2
InChIKeyPMBRERCNZRJHDY-UHFFFAOYSA-N
XLogP2.30
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852435
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride
CID 71757439
5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 65159319
1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862018
1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352919
1-[5-(cyclohexyloxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854290
1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61353306
3-bromo-5-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
CID 112571580
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354340
1-[5-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852688
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 61351527
1-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857084

Frequently Asked Questions

What is the IUPAC name of 1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine?
The IUPAC name of 1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine (CID 65159466) is 1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine.
What is the SMILES notation for 1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine?
The canonical SMILES for 1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine is NC1(c2noc(CC3CCCO3)n2)CCCCCC1.
What is the InChIKey of 1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine?
The InChIKey is PMBRERCNZRJHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c15-14(7-3-1-2-4-8-14)13-16-12(19-17-13)10-11-6-5-9-18-11/h11H,1-10,15H2.
What are the key properties of 1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine?
1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine has a molecular weight of 265.36 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine is sourced from PubChem (CID 65159466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).