4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(furan-2-yl)azepan-1-yl]butan-1-one

C19H25N3O3 — CID 71930225

IUPAC4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(furan-2-yl)azepan-1-yl]butan-1-one
SMILESO=C(CCCc1nc(C2CC2)no1)N1CCCCCC1c1ccco1
InChIInChI=1S/C19H25N3O3/c23-18(9-4-8-17-20-19(21-25-17)14-10-11-14)22-12-3-1-2-6-15(22)16-7-5-13-24-16/h5,7,13-15H,1-4,6,8-12H2
InChIKeyONURZLQCHIPAEQ-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.01
Rot. Bonds6

About 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(furan-2-yl)azepan-1-yl]butan-1-one

4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(furan-2-yl)azepan-1-yl]butan-1-one (PubChem CID 71930225) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(furan-2-yl)azepan-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(furan-2-yl)azepan-1-yl]butan-1-one
PubChem CID71930225
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(furan-2-yl)azepan-1-yl]butan-1-one
SMILESO=C(CCCc1nc(C2CC2)no1)N1CCCCCC1c1ccco1
InChIInChI=1S/C19H25N3O3/c23-18(9-4-8-17-20-19(21-25-17)14-10-11-14)22-12-3-1-2-6-15(22)16-7-5-13-24-16/h5,7,13-15H,1-4,6,8-12H2
InChIKeyONURZLQCHIPAEQ-UHFFFAOYSA-N
XLogP4.01
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(furan-2-yl)azepan-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(furan-2-yl)azepan-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 131897278
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120732430
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 65390511
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(2-pyridin-4-ylazepan-1-yl)butan-1-one
CID 55764637
1-(2-azaspiro[5.5]undecan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 84584459
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 166211937
[(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone
CID 95728453
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 96524931
4-[3-[2-(furan-2-yl)pyrrolidin-1-yl]-3-oxopropyl]benzoic acid
CID 75516621
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 90564568
4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]butan-1-one
CID 126442115
1-[2-(furan-2-yl)piperidin-1-yl]-3-(2-methylpropylsulfonyl)propan-1-one
CID 75371938

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(furan-2-yl)azepan-1-yl]butan-1-one?
The IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(furan-2-yl)azepan-1-yl]butan-1-one (CID 71930225) is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(furan-2-yl)azepan-1-yl]butan-1-one.
What is the SMILES notation for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(furan-2-yl)azepan-1-yl]butan-1-one?
The canonical SMILES for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(furan-2-yl)azepan-1-yl]butan-1-one is O=C(CCCc1nc(C2CC2)no1)N1CCCCCC1c1ccco1.
What is the InChIKey of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(furan-2-yl)azepan-1-yl]butan-1-one?
The InChIKey is ONURZLQCHIPAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-18(9-4-8-17-20-19(21-25-17)14-10-11-14)22-12-3-1-2-6-15(22)16-7-5-13-24-16/h5,7,13-15H,1-4,6,8-12H2.
What are the key properties of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(furan-2-yl)azepan-1-yl]butan-1-one?
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(furan-2-yl)azepan-1-yl]butan-1-one has a molecular weight of 343.43 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(furan-2-yl)azepan-1-yl]butan-1-one is sourced from PubChem (CID 71930225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).