3-(furan-3-yl)-5-[(5-methyl-2-propan-2-ylazepan-1-yl)methyl]-1,2,4-oxadiazole

C17H25N3O2 — CID 86966615

IUPAC3-(furan-3-yl)-5-[(5-methyl-2-propan-2-ylazepan-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC1CCC(C(C)C)N(Cc2nc(-c3ccoc3)no2)CC1
InChIInChI=1S/C17H25N3O2/c1-12(2)15-5-4-13(3)6-8-20(15)10-16-18-17(19-22-16)14-7-9-21-11-14/h7,9,11-13,15H,4-6,8,10H2,1-3H3
InChIKeyLJGWJPUPDDNWIW-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.98
Rot. Bonds4

About 3-(furan-3-yl)-5-[(5-methyl-2-propan-2-ylazepan-1-yl)methyl]-1,2,4-oxadiazole

3-(furan-3-yl)-5-[(5-methyl-2-propan-2-ylazepan-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 86966615) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-(furan-3-yl)-5-[(5-methyl-2-propan-2-ylazepan-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(furan-3-yl)-5-[(5-methyl-2-propan-2-ylazepan-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID86966615
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name3-(furan-3-yl)-5-[(5-methyl-2-propan-2-ylazepan-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC1CCC(C(C)C)N(Cc2nc(-c3ccoc3)no2)CC1
InChIInChI=1S/C17H25N3O2/c1-12(2)15-5-4-13(3)6-8-20(15)10-16-18-17(19-22-16)14-7-9-21-11-14/h7,9,11-13,15H,4-6,8,10H2,1-3H3
InChIKeyLJGWJPUPDDNWIW-UHFFFAOYSA-N
XLogP3.98
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(furan-3-yl)-5-[(5-methyl-2-propan-2-ylazepan-1-yl)methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

(2S)-1-[(2R)-4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124778927
3-(furan-3-yl)-5-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95326732
3-(furan-3-yl)-5-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole
CID 75426291
3-(furan-3-yl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56780380
1-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 64672459
3-(furan-3-yl)-5-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56802734
5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 136516263
1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanamine
CID 63255943
(2S)-4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmorpholine
CID 95323433
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 102602935
1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 124589224
5-[[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95315795

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-5-[(5-methyl-2-propan-2-ylazepan-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(furan-3-yl)-5-[(5-methyl-2-propan-2-ylazepan-1-yl)methyl]-1,2,4-oxadiazole (CID 86966615) is 3-(furan-3-yl)-5-[(5-methyl-2-propan-2-ylazepan-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(furan-3-yl)-5-[(5-methyl-2-propan-2-ylazepan-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(furan-3-yl)-5-[(5-methyl-2-propan-2-ylazepan-1-yl)methyl]-1,2,4-oxadiazole is CC1CCC(C(C)C)N(Cc2nc(-c3ccoc3)no2)CC1.
What is the InChIKey of 3-(furan-3-yl)-5-[(5-methyl-2-propan-2-ylazepan-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is LJGWJPUPDDNWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(2)15-5-4-13(3)6-8-20(15)10-16-18-17(19-22-16)14-7-9-21-11-14/h7,9,11-13,15H,4-6,8,10H2,1-3H3.
What are the key properties of 3-(furan-3-yl)-5-[(5-methyl-2-propan-2-ylazepan-1-yl)methyl]-1,2,4-oxadiazole?
3-(furan-3-yl)-5-[(5-methyl-2-propan-2-ylazepan-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 303.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-5-[(5-methyl-2-propan-2-ylazepan-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 86966615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).