1-(azepan-1-yl)-3-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-one

C19H21N3O3 — CID 75419217

IUPAC1-(azepan-1-yl)-3-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-one
SMILESO=C(CCc1nnc(-c2cc3ccccc3o2)o1)N1CCCCCC1
InChIInChI=1S/C19H21N3O3/c23-18(22-11-5-1-2-6-12-22)10-9-17-20-21-19(25-17)16-13-14-7-3-4-8-15(14)24-16/h3-4,7-8,13H,1-2,5-6,9-12H2
InChIKeySJESEEYSLKBWRO-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.82
Rot. Bonds4

About 1-(azepan-1-yl)-3-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-one

1-(azepan-1-yl)-3-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-one (PubChem CID 75419217) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-(azepan-1-yl)-3-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-(azepan-1-yl)-3-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-one
PubChem CID75419217
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name1-(azepan-1-yl)-3-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-one
SMILESO=C(CCc1nnc(-c2cc3ccccc3o2)o1)N1CCCCCC1
InChIInChI=1S/C19H21N3O3/c23-18(22-11-5-1-2-6-12-22)10-9-17-20-21-19(25-17)16-13-14-7-3-4-8-15(14)24-16/h3-4,7-8,13H,1-2,5-6,9-12H2
InChIKeySJESEEYSLKBWRO-UHFFFAOYSA-N
XLogP3.82
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(azepan-1-yl)-3-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-one with MolForge

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Related Compounds

1-(azepan-1-yl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110330551
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylpropan-1-one
CID 110333957
1-(4-acetylpiperazin-1-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 51218726
1-(azepan-1-yl)-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one
CID 42119384
3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-piperidin-1-ylpropan-1-one
CID 71684068
4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carbaldehyde
CID 110333746
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 51217103
N-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62138314
1-(azepan-1-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one
CID 110649497
4-[3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperazine-1-carbaldehyde
CID 110334291
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 86924265
3-(azepane-1-carbonyl)chromen-2-one
CID 716526

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-3-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-one?
The IUPAC name of 1-(azepan-1-yl)-3-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-one (CID 75419217) is 1-(azepan-1-yl)-3-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-one.
What is the SMILES notation for 1-(azepan-1-yl)-3-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-one?
The canonical SMILES for 1-(azepan-1-yl)-3-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-one is O=C(CCc1nnc(-c2cc3ccccc3o2)o1)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-3-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-one?
The InChIKey is SJESEEYSLKBWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-18(22-11-5-1-2-6-12-22)10-9-17-20-21-19(25-17)16-13-14-7-3-4-8-15(14)24-16/h3-4,7-8,13H,1-2,5-6,9-12H2.
What are the key properties of 1-(azepan-1-yl)-3-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-one?
1-(azepan-1-yl)-3-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-one has a molecular weight of 339.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-3-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-one is sourced from PubChem (CID 75419217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).