1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-7-phenylheptan-1-one

C19H20N2O3 — CID 24951002

IUPAC1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-7-phenylheptan-1-one
SMILESO=C(CCCCCCc1ccccc1)c1nc(-c2ccco2)no1
InChIInChI=1S/C19H20N2O3/c22-16(19-20-18(21-24-19)17-13-8-14-23-17)12-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-11,13-14H,1-2,4,7,9,12H2
InChIKeyDRXUVAUJQLMZPP-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.71
Rot. Bonds9

About 1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-7-phenylheptan-1-one

1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-7-phenylheptan-1-one (PubChem CID 24951002) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-7-phenylheptan-1-one.

Molecular Properties

Compound Name1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-7-phenylheptan-1-one
PubChem CID24951002
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-7-phenylheptan-1-one
SMILESO=C(CCCCCCc1ccccc1)c1nc(-c2ccco2)no1
InChIInChI=1S/C19H20N2O3/c22-16(19-20-18(21-24-19)17-13-8-14-23-17)12-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-11,13-14H,1-2,4,7,9,12H2
InChIKeyDRXUVAUJQLMZPP-UHFFFAOYSA-N
XLogP4.71
TPSA69.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(5-Bromofuran-2-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 715522
3-(5-Bromofuran-2-yl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 717858
5-(5-Bromofuran-2-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 750811
3-(5-Bromo-2-furyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole
CID 1259900
3-(5-Bromofuran-2-yl)-5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazole
CID 1502900
N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}furan-2-carboxamide
CID 2990373
3-(5-Bromofuran-2-yl)-5-phenyl-1,2,4-oxadiazole
CID 5150753
N-{1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-2-furamide
CID 6458740
N-{1-[3-(4-Tert-butylphenyl)-1,2,4-oxadiazol-5-YL]ethyl}furan-2-carboxamide
CID 6459151
Furan-2-carboxylic acid (3-o-tolyl-[1,2,4]oxadiazol-5-ylmethyl)-amide
CID 6460613
N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 6461363
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide
CID 6462763

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-7-phenylheptan-1-one?
The IUPAC name of 1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-7-phenylheptan-1-one (CID 24951002) is 1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-7-phenylheptan-1-one.
What is the SMILES notation for 1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-7-phenylheptan-1-one?
The canonical SMILES for 1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-7-phenylheptan-1-one is O=C(CCCCCCc1ccccc1)c1nc(-c2ccco2)no1.
What is the InChIKey of 1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-7-phenylheptan-1-one?
The InChIKey is DRXUVAUJQLMZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-16(19-20-18(21-24-19)17-13-8-14-23-17)12-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-11,13-14H,1-2,4,7,9,12H2.
What are the key properties of 1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-7-phenylheptan-1-one?
1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-7-phenylheptan-1-one has a molecular weight of 324.38 g/mol, XLogP of 4.71, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-7-phenylheptan-1-one is sourced from PubChem (CID 24951002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).