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

C17H23N3O3 — CID 46342176

IUPACN-cycloheptyl-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1cccc(-c2noc(NC3CCCCCC3)n2)c1OC
InChIInChI=1S/C17H23N3O3/c1-21-14-11-7-10-13(15(14)22-2)16-19-17(23-20-16)18-12-8-5-3-4-6-9-12/h7,10-12H,3-6,8-9H2,1-2H3,(H,18,19,20)
InChIKeyMOSUIWYYGWEMDM-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.89
Rot. Bonds5

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

N-cycloheptyl-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 46342176) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-cycloheptyl-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-cycloheptyl-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
PubChem CID46342176
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-cycloheptyl-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1cccc(-c2noc(NC3CCCCCC3)n2)c1OC
InChIInChI=1S/C17H23N3O3/c1-21-14-11-7-10-13(15(14)22-2)16-19-17(23-20-16)18-12-8-5-3-4-6-9-12/h7,10-12H,3-6,8-9H2,1-2H3,(H,18,19,20)
InChIKeyMOSUIWYYGWEMDM-UHFFFAOYSA-N
XLogP3.89
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 55096100
N-cyclohexyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 119027868
N-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342228
3-(2,3-dimethoxyphenyl)-N-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 20952735
3-(2,3-dimethoxyphenyl)-5-piperidin-1-yl-1,2,4-oxadiazole
CID 46342204
N-cyclopropyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 62595048
N-cyclohexyl-3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 119027837
N-[(4-chlorophenyl)methyl]-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342174
3-(2,3-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 20952749
5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
CID 25279341
[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 86261810
2-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 95911504

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-cycloheptyl-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine (CID 46342176) is N-cycloheptyl-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-cycloheptyl-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-cycloheptyl-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine is COc1cccc(-c2noc(NC3CCCCCC3)n2)c1OC.
What is the InChIKey of N-cycloheptyl-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is MOSUIWYYGWEMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-21-14-11-7-10-13(15(14)22-2)16-19-17(23-20-16)18-12-8-5-3-4-6-9-12/h7,10-12H,3-6,8-9H2,1-2H3,(H,18,19,20).
What are the key properties of N-cycloheptyl-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine?
N-cycloheptyl-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 317.39 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 46342176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).