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

C19H25FN4O — CID 167959661

IUPAC5-cyclopropyl-3-[[4-[1-(2-fluorophenyl)ethyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
SMILESCC(c1ccccc1F)N1CCCN(Cc2noc(C3CC3)n2)CC1
InChIInChI=1S/C19H25FN4O/c1-14(16-5-2-3-6-17(16)20)24-10-4-9-23(11-12-24)13-18-21-19(25-22-18)15-7-8-15/h2-3,5-6,14-15H,4,7-13H2,1H3
InChIKeyLAZZFLNAGXEJDU-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.36
Rot. Bonds5

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

5-cyclopropyl-3-[[4-[1-(2-fluorophenyl)ethyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 167959661) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[4-[1-(2-fluorophenyl)ethyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[[4-[1-(2-fluorophenyl)ethyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID167959661
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name5-cyclopropyl-3-[[4-[1-(2-fluorophenyl)ethyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
SMILESCC(c1ccccc1F)N1CCCN(Cc2noc(C3CC3)n2)CC1
InChIInChI=1S/C19H25FN4O/c1-14(16-5-2-3-6-17(16)20)24-10-4-9-23(11-12-24)13-18-21-19(25-22-18)15-7-8-15/h2-3,5-6,14-15H,4,7-13H2,1H3
InChIKeyLAZZFLNAGXEJDU-UHFFFAOYSA-N
XLogP3.36
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[4-[1-(2-fluorophenyl)ethyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[[4-[1-(2-fluorophenyl)ethyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole (CID 167959661) is 5-cyclopropyl-3-[[4-[1-(2-fluorophenyl)ethyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[[4-[1-(2-fluorophenyl)ethyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[[4-[1-(2-fluorophenyl)ethyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole is CC(c1ccccc1F)N1CCCN(Cc2noc(C3CC3)n2)CC1.
What is the InChIKey of 5-cyclopropyl-3-[[4-[1-(2-fluorophenyl)ethyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is LAZZFLNAGXEJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-14(16-5-2-3-6-17(16)20)24-10-4-9-23(11-12-24)13-18-21-19(25-22-18)15-7-8-15/h2-3,5-6,14-15H,4,7-13H2,1H3.
What are the key properties of 5-cyclopropyl-3-[[4-[1-(2-fluorophenyl)ethyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[[4-[1-(2-fluorophenyl)ethyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 344.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[4-[1-(2-fluorophenyl)ethyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 167959661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).