5-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-yl)-1,3,4-oxadiazol-2-amine

C14H17N3O2 — CID 72913825

IUPAC5-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-yl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)c1nnc(NC2COc3ccccc32)o1
InChIInChI=1S/C14H17N3O2/c1-14(2,3)12-16-17-13(19-12)15-10-8-18-11-7-5-4-6-9(10)11/h4-7,10H,8H2,1-3H3,(H,15,17)
InChIKeyPCQGUTJGJUJIEC-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.91
Rot. Bonds2

About 5-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-yl)-1,3,4-oxadiazol-2-amine

5-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 72913825) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-yl)-1,3,4-oxadiazol-2-amine
PubChem CID72913825
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-yl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)c1nnc(NC2COc3ccccc32)o1
InChIInChI=1S/C14H17N3O2/c1-14(2,3)12-16-17-13(19-12)15-10-8-18-11-7-5-4-6-9(10)11/h4-7,10H,8H2,1-3H3,(H,15,17)
InChIKeyPCQGUTJGJUJIEC-UHFFFAOYSA-N
XLogP2.91
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-yl)-1,3,4-oxadiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-tert-butyl-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-1,3,4-oxadiazol-2-amine
CID 97204483
N-(2,3-dihydro-1-benzofuran-3-yl)-5-methyl-1H-imidazol-2-amine
CID 106574438
3-(2,3-dihydro-1-benzofuran-3-ylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 62065580
2-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpropanamide
CID 62070749
N-(2,3-dihydro-1-benzofuran-3-yl)-5,6-dimethylpyrazin-2-amine
CID 114475837
4-N-(2,3-dihydro-1-benzofuran-3-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80835656
N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4,5-tetrahydropyridin-6-amine
CID 79504361
(3S)-3-tert-butyl-2,3-dihydro-1-benzofuran
CID 129157836
4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80835746
5-(2,3-dihydro-1-benzofuran-3-ylamino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375468
methyl 6-(2,3-dihydro-1-benzofuran-3-ylamino)pyridazine-3-carboxylate
CID 62064686
N-(2,3-dihydro-1-benzofuran-3-yl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66326930

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-yl)-1,3,4-oxadiazol-2-amine (CID 72913825) is 5-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-yl)-1,3,4-oxadiazol-2-amine is CC(C)(C)c1nnc(NC2COc3ccccc32)o1.
What is the InChIKey of 5-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is PCQGUTJGJUJIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-14(2,3)12-16-17-13(19-12)15-10-8-18-11-7-5-4-6-9(10)11/h4-7,10H,8H2,1-3H3,(H,15,17).
What are the key properties of 5-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-yl)-1,3,4-oxadiazol-2-amine?
5-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 259.31 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72913825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).