N-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine

C16H21N3O2 — CID 46342228

IUPACN-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1cccc(-c2noc(NC3CCCCCC3)n2)c1
InChIInChI=1S/C16H21N3O2/c1-20-14-10-6-7-12(11-14)15-18-16(21-19-15)17-13-8-4-2-3-5-9-13/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,17,18,19)
InChIKeyFJQHSEWFHUDSPE-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.88
Rot. Bonds4

About N-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine

N-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 46342228) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
PubChem CID46342228
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1cccc(-c2noc(NC3CCCCCC3)n2)c1
InChIInChI=1S/C16H21N3O2/c1-20-14-10-6-7-12(11-14)15-18-16(21-19-15)17-13-8-4-2-3-5-9-13/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,17,18,19)
InChIKeyFJQHSEWFHUDSPE-UHFFFAOYSA-N
XLogP3.88
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 119027837
N-(3-ethylsulfinylcyclohexyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 133338190
3-(3-methoxyphenyl)-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,2,4-oxadiazol-5-amine
CID 133319922
N-(2-ethylsulfanylcyclopentyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 133378477
N-cycloheptyl-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342176
5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 19658006
N-cyclohexyl-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359553
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 126805972
N-cyclohexyl-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 23605831
N-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71686712
5-[(2R)-azetidin-2-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 120841721
5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 8895516

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine (CID 46342228) is N-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine is COc1cccc(-c2noc(NC3CCCCCC3)n2)c1.
What is the InChIKey of N-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is FJQHSEWFHUDSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-20-14-10-6-7-12(11-14)15-18-16(21-19-15)17-13-8-4-2-3-5-9-13/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,17,18,19).
What are the key properties of N-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
N-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 287.36 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 46342228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).