5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole

C18H25FN4O — CID 29001704

IUPAC5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CN2CCCN(Cc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H25FN4O/c1-2-4-17-20-18(24-21-17)14-23-10-3-9-22(11-12-23)13-15-5-7-16(19)8-6-15/h5-8H,2-4,9-14H2,1H3
InChIKeyFBVXMEQHOBEBIH-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.87
Rot. Bonds6

About 5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole

5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 29001704) has the molecular formula C18H25FN4O and a molecular weight of 332.42 g/mol. Its IUPAC name is 5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
PubChem CID29001704
Molecular FormulaC18H25FN4O
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC Name5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CN2CCCN(Cc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H25FN4O/c1-2-4-17-20-18(24-21-17)14-23-10-3-9-22(11-12-23)13-15-5-7-16(19)8-6-15/h5-8H,2-4,9-14H2,1H3
InChIKeyFBVXMEQHOBEBIH-UHFFFAOYSA-N
XLogP2.87
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole with MolForge

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Related Compounds

3-ethyl-5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 51075932
5-[[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 71933012
5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 134038787
[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]-(4-propylphenyl)methanone
CID 134706867
5-(azepan-1-ylmethyl)-3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 86916726
4-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol
CID 30596664
5-fluoro-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one
CID 99831505
3-[(4-fluorophenyl)methyl]-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one
CID 146082852
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 881940
N-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 119923360

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole (CID 29001704) is 5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc(CN2CCCN(Cc3ccc(F)cc3)CC2)n1.
What is the InChIKey of 5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is FBVXMEQHOBEBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O/c1-2-4-17-20-18(24-21-17)14-23-10-3-9-22(11-12-23)13-15-5-7-16(19)8-6-15/h5-8H,2-4,9-14H2,1H3.
What are the key properties of 5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole?
5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 332.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 29001704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).