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

C16H15N3O3 — CID 75517199

IUPAC5-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3-methylfuran-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccoc1CNc1nnc(C2Cc3ccccc3O2)o1
InChIInChI=1S/C16H15N3O3/c1-10-6-7-20-14(10)9-17-16-19-18-15(22-16)13-8-11-4-2-3-5-12(11)21-13/h2-7,13H,8-9H2,1H3,(H,17,19)
InChIKeyWRIQHBUWYTZLPX-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.26
Rot. Bonds4

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

5-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3-methylfuran-2-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 75517199) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3-methylfuran-2-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3-methylfuran-2-yl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID75517199
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name5-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3-methylfuran-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccoc1CNc1nnc(C2Cc3ccccc3O2)o1
InChIInChI=1S/C16H15N3O3/c1-10-6-7-20-14(10)9-17-16-19-18-15(22-16)13-8-11-4-2-3-5-12(11)21-13/h2-7,13H,8-9H2,1H3,(H,17,19)
InChIKeyWRIQHBUWYTZLPX-UHFFFAOYSA-N
XLogP3.26
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-[(2S)-2,3-dihydro-1-benzofuran-2-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine
CID 97349620
5-(2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 86782918
N-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 62137024
[5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62071795
5-(1-aminoethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106960297
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-methylpyridazin-3-amine
CID 61311188
3-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazin-2-amine
CID 62234283
4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80822499
5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylpyridin-2-amine
CID 79718777
N-[(3-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 115653449
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylpyrimidin-2-amine
CID 63208579
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-6-methylpyridine-3-carboxylic acid
CID 62710131

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3-methylfuran-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3-methylfuran-2-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 75517199) is 5-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3-methylfuran-2-yl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3-methylfuran-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3-methylfuran-2-yl)methyl]-1,3,4-oxadiazol-2-amine is Cc1ccoc1CNc1nnc(C2Cc3ccccc3O2)o1.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3-methylfuran-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is WRIQHBUWYTZLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-10-6-7-20-14(10)9-17-16-19-18-15(22-16)13-8-11-4-2-3-5-12(11)21-13/h2-7,13H,8-9H2,1H3,(H,17,19).
What are the key properties of 5-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3-methylfuran-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
5-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3-methylfuran-2-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 297.31 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3-methylfuran-2-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 75517199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).