1-[5-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C17H21N3O2 — CID 120852688

IUPAC1-[5-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(CC3CCOc4ccccc43)n2)CCCC1
InChIInChI=1S/C17H21N3O2/c18-17(8-3-4-9-17)16-19-15(22-20-16)11-12-7-10-21-14-6-2-1-5-13(12)14/h1-2,5-6,12H,3-4,7-11,18H2
InChIKeyTWHWBIOZCSYESE-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.91
Rot. Bonds3

About 1-[5-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120852688) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[5-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120852688
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-[5-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(CC3CCOc4ccccc43)n2)CCCC1
InChIInChI=1S/C17H21N3O2/c18-17(8-3-4-9-17)16-19-15(22-20-16)11-12-7-10-21-14-6-2-1-5-13(12)14/h1-2,5-6,12H,3-4,7-11,18H2
InChIKeyTWHWBIOZCSYESE-UHFFFAOYSA-N
XLogP2.91
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine with MolForge

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Related Compounds

1-[5-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864592
1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 65159466
[1-(3,4-dihydro-2H-chromen-4-ylmethylamino)cyclopentyl]methanol
CID 115924343
1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]cyclopropan-1-amine
CID 83910100
4-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-benzoxazin-3-one;hydrochloride
CID 120853943
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethylcyclobutan-1-amine
CID 115907993
1-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 79212212
N-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 75376285
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
1-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopentan-1-ol
CID 104769122
1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862018

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120852688) is 1-[5-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is NC1(c2noc(CC3CCOc4ccccc43)n2)CCCC1.
What is the InChIKey of 1-[5-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is TWHWBIOZCSYESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c18-17(8-3-4-9-17)16-19-15(22-20-16)11-12-7-10-21-14-6-2-1-5-13(12)14/h1-2,5-6,12H,3-4,7-11,18H2.
What are the key properties of 1-[5-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 299.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120852688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).