5-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1S,2S)-2-phenylcyclopropyl]-1,2,4-oxadiazole

C19H16N2O2 — CID 166269857

IUPAC5-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1S,2S)-2-phenylcyclopropyl]-1,2,4-oxadiazole
SMILESc1ccc([C@H]2C[C@@H]2c2noc(-c3ccc4c(c3)COC4)n2)cc1
InChIInChI=1S/C19H16N2O2/c1-2-4-12(5-3-1)16-9-17(16)18-20-19(23-21-18)13-6-7-14-10-22-11-15(14)8-13/h1-8,16-17H,9-11H2/t16-,17+/m1/s1
InChIKeyPNGFMJOJQZAYIV-SJORKVTESA-N
MW304.35 g/mol
LogP4.04
Rot. Bonds3

About 5-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1S,2S)-2-phenylcyclopropyl]-1,2,4-oxadiazole

5-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1S,2S)-2-phenylcyclopropyl]-1,2,4-oxadiazole (PubChem CID 166269857) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1S,2S)-2-phenylcyclopropyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1S,2S)-2-phenylcyclopropyl]-1,2,4-oxadiazole
PubChem CID166269857
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name5-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1S,2S)-2-phenylcyclopropyl]-1,2,4-oxadiazole
SMILESc1ccc([C@H]2C[C@@H]2c2noc(-c3ccc4c(c3)COC4)n2)cc1
InChIInChI=1S/C19H16N2O2/c1-2-4-12(5-3-1)16-9-17(16)18-20-19(23-21-18)13-6-7-14-10-22-11-15(14)8-13/h1-8,16-17H,9-11H2/t16-,17+/m1/s1
InChIKeyPNGFMJOJQZAYIV-SJORKVTESA-N
XLogP4.04
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1S,2S)-2-phenylcyclopropyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[3-(Methoxymethyl)-4-(2-methylphenyl)phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazole
CID 46829767
5-(4-Cyclohexylphenyl)-3-o-tolyl-1,2,4-oxadiazole
CID 44412908
2-Fluoro-4-[4-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]benzoic acid
CID 137644547
5-(1,1'-Biphenyl-4-yl)-3-propyl-1,2,4-oxadiazole
CID 3243880
1,3-Dihydro-2-benzofuran-5-yl-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 71928988
1,3-Dihydro-2-benzofuran-5-yl-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 72147126
5-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3H-2-benzofuran-1-one
CID 137028412
3-[[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3H-2-benzofuran-1-one
CID 162663567
3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3H-2-benzofuran-1-one
CID 162676278
Methyl 4-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]benzoate
CID 172455167
Methyl 4-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]benzoate
CID 172462421
5-(4-Propylphenyl)-3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazole
CID 72859446

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1S,2S)-2-phenylcyclopropyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1S,2S)-2-phenylcyclopropyl]-1,2,4-oxadiazole (CID 166269857) is 5-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1S,2S)-2-phenylcyclopropyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1S,2S)-2-phenylcyclopropyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1S,2S)-2-phenylcyclopropyl]-1,2,4-oxadiazole is c1ccc([C@H]2C[C@@H]2c2noc(-c3ccc4c(c3)COC4)n2)cc1.
What is the InChIKey of 5-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1S,2S)-2-phenylcyclopropyl]-1,2,4-oxadiazole?
The InChIKey is PNGFMJOJQZAYIV-SJORKVTESA-N. The full InChI is InChI=1S/C19H16N2O2/c1-2-4-12(5-3-1)16-9-17(16)18-20-19(23-21-18)13-6-7-14-10-22-11-15(14)8-13/h1-8,16-17H,9-11H2/t16-,17+/m1/s1.
What are the key properties of 5-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1S,2S)-2-phenylcyclopropyl]-1,2,4-oxadiazole?
5-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1S,2S)-2-phenylcyclopropyl]-1,2,4-oxadiazole has a molecular weight of 304.35 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1S,2S)-2-phenylcyclopropyl]-1,2,4-oxadiazole is sourced from PubChem (CID 166269857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).