2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine

C16H21N3O2 — CID 63348630

IUPAC2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
SMILESCCOc1cccc(-c2noc(C3CCCC3NC)n2)c1
InChIInChI=1S/C16H21N3O2/c1-3-20-12-7-4-6-11(10-12)15-18-16(21-19-15)13-8-5-9-14(13)17-2/h4,6-7,10,13-14,17H,3,5,8-9H2,1-2H3
InChIKeySRRKRSWDUWYZLP-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.99
Rot. Bonds5

About 2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine

2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine (PubChem CID 63348630) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
PubChem CID63348630
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
SMILESCCOc1cccc(-c2noc(C3CCCC3NC)n2)c1
InChIInChI=1S/C16H21N3O2/c1-3-20-12-7-4-6-11(10-12)15-18-16(21-19-15)13-8-5-9-14(13)17-2/h4,6-7,10,13-14,17H,3,5,8-9H2,1-2H3
InChIKeySRRKRSWDUWYZLP-UHFFFAOYSA-N
XLogP2.99
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 63348400
N-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cycloheptan-1-amine
CID 63347847
3-(3-ethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43519291
2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
CID 107918248
5-chloro-3-(3-ethoxyphenyl)-1,2,4-oxadiazole
CID 60984808
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 63347506
3-(3-ethoxyphenyl)-5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole
CID 43519282
3-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-one
CID 106473822
2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine
CID 63348266
2-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylcyclopentan-1-amine
CID 63348240
1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 63348720
N-(2-ethylsulfanylcyclopentyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 133378477

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine?
The IUPAC name of 2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine (CID 63348630) is 2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine is CCOc1cccc(-c2noc(C3CCCC3NC)n2)c1.
What is the InChIKey of 2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine?
The InChIKey is SRRKRSWDUWYZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-20-12-7-4-6-11(10-12)15-18-16(21-19-15)13-8-5-9-14(13)17-2/h4,6-7,10,13-14,17H,3,5,8-9H2,1-2H3.
What are the key properties of 2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine?
2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine has a molecular weight of 287.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine is sourced from PubChem (CID 63348630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).