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

C15H19N3O2 — CID 63710487

IUPAC1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1noc(C2CCOc3ccccc32)n1
InChIInChI=1S/C15H19N3O2/c1-9(2)13(16)14-17-15(20-18-14)11-7-8-19-12-6-4-3-5-10(11)12/h3-6,9,11,13H,7-8,16H2,1-2H3
InChIKeySPFJWUFLCDSOOX-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.64
Rot. Bonds3

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

1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine (PubChem CID 63710487) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
PubChem CID63710487
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1noc(C2CCOc3ccccc32)n1
InChIInChI=1S/C15H19N3O2/c1-9(2)13(16)14-17-15(20-18-14)11-7-8-19-12-6-4-3-5-10(11)12/h3-6,9,11,13H,7-8,16H2,1-2H3
InChIKeySPFJWUFLCDSOOX-UHFFFAOYSA-N
XLogP2.64
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-(1-chloroethyl)-5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole
CID 102660966
1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096385
3-bromo-5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole
CID 112571434
3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65405097
5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
CID 97011260
1-[5-(3,4-dihydro-2H-chromen-4-yl)-1H-1,2,4-triazol-3-yl]ethanamine
CID 65404677
3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine
CID 65406401
(1S)-1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 103431983
3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65404496
1-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 65415516
2-methyl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 63014392
3-(benzimidazol-1-ylmethyl)-5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole
CID 100675712

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine (CID 63710487) is 1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine is CC(C)C(N)c1noc(C2CCOc3ccccc32)n1.
What is the InChIKey of 1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine?
The InChIKey is SPFJWUFLCDSOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9(2)13(16)14-17-15(20-18-14)11-7-8-19-12-6-4-3-5-10(11)12/h3-6,9,11,13H,7-8,16H2,1-2H3.
What are the key properties of 1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine?
1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine has a molecular weight of 273.34 g/mol, XLogP of 2.64, 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-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 63710487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).