2-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine

C16H19N3O2 — CID 82764129

IUPAC2-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
SMILESCC1(c2nc(C3COc4ccccc43)no2)CCCC1N
InChIInChI=1S/C16H19N3O2/c1-16(8-4-7-13(16)17)15-18-14(19-21-15)11-9-20-12-6-3-2-5-10(11)12/h2-3,5-6,11,13H,4,7-9,17H2,1H3
InChIKeyCNNUWPIHTSRDNP-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.36
Rot. Bonds2

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

2-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine (PubChem CID 82764129) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
PubChem CID82764129
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
SMILESCC1(c2nc(C3COc4ccccc43)no2)CCCC1N
InChIInChI=1S/C16H19N3O2/c1-16(8-4-7-13(16)17)15-18-14(19-21-15)11-9-20-12-6-3-2-5-10(11)12/h2-3,5-6,11,13H,4,7-9,17H2,1H3
InChIKeyCNNUWPIHTSRDNP-UHFFFAOYSA-N
XLogP2.36
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine with MolForge

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Related Compounds

1-(2,3-Dihydro-1-benzofuran-2-ylmethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 56785681
N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentanecarboxamide
CID 72014759
5-(1-Cyclopentanecarbonylpyrrolidin-3-YL)-3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazole
CID 91920820
3-[(3R)-oxolan-3-yl]-5-[1-(4-propan-2-yloxyphenyl)cyclopentyl]-1,2,4-oxadiazole
CID 97445821
5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazole
CID 136588579
(1S,5S,6R)-3-[3-[2-(2-methoxyphenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]bicyclo[3.2.0]heptan-6-amine
CID 164634064
2-[3-(2,3-Dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
CID 81957511
2-[3-(3-Fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 82626475
2-[3-(5-Fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 82626477
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 106416936
1-[2-[(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine
CID 107700711
1-[2-[(5-Ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine
CID 107700994

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
The IUPAC name of 2-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine (CID 82764129) is 2-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for 2-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
The canonical SMILES for 2-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine is CC1(c2nc(C3COc4ccccc43)no2)CCCC1N.
What is the InChIKey of 2-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
The InChIKey is CNNUWPIHTSRDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-16(8-4-7-13(16)17)15-18-14(19-21-15)11-9-20-12-6-3-2-5-10(11)12/h2-3,5-6,11,13H,4,7-9,17H2,1H3.
What are the key properties of 2-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
2-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine has a molecular weight of 285.35 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 82764129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).