3-[cyclopropyl(ethoxy)methyl]-5-(1,4-diazepan-1-ylmethyl)-1,2,4-oxadiazole

C14H24N4O2 — CID 116703838

IUPAC3-[cyclopropyl(ethoxy)methyl]-5-(1,4-diazepan-1-ylmethyl)-1,2,4-oxadiazole
SMILESCCOC(c1noc(CN2CCCNCC2)n1)C1CC1
InChIInChI=1S/C14H24N4O2/c1-2-19-13(11-4-5-11)14-16-12(20-17-14)10-18-8-3-6-15-7-9-18/h11,13,15H,2-10H2,1H3
InChIKeyOVAFETRZKPMDLO-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.35
Rot. Bonds6

About 3-[cyclopropyl(ethoxy)methyl]-5-(1,4-diazepan-1-ylmethyl)-1,2,4-oxadiazole

3-[cyclopropyl(ethoxy)methyl]-5-(1,4-diazepan-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 116703838) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[cyclopropyl(ethoxy)methyl]-5-(1,4-diazepan-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[cyclopropyl(ethoxy)methyl]-5-(1,4-diazepan-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID116703838
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name3-[cyclopropyl(ethoxy)methyl]-5-(1,4-diazepan-1-ylmethyl)-1,2,4-oxadiazole
SMILESCCOC(c1noc(CN2CCCNCC2)n1)C1CC1
InChIInChI=1S/C14H24N4O2/c1-2-19-13(11-4-5-11)14-16-12(20-17-14)10-18-8-3-6-15-7-9-18/h11,13,15H,2-10H2,1H3
InChIKeyOVAFETRZKPMDLO-UHFFFAOYSA-N
XLogP1.35
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-butan-2-yl-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63716823
3-(1-ethoxyethyl)-5-[[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 166210681
1-cyclopropyl-2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 116733478
2-[[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483663
5-(1,4-diazepan-1-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
CID 79203025
N-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 116703766
[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-piperidin-3-ylmethanone
CID 119896103
5-(1,4-diazepan-1-ylmethyl)-3-(3-methylcyclopentyl)-1,2,4-oxadiazole
CID 65402651
1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 116733466
N-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine
CID 116703622
3-[cyclohexyl(ethoxy)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 116743600
3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743666

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(ethoxy)methyl]-5-(1,4-diazepan-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[cyclopropyl(ethoxy)methyl]-5-(1,4-diazepan-1-ylmethyl)-1,2,4-oxadiazole (CID 116703838) is 3-[cyclopropyl(ethoxy)methyl]-5-(1,4-diazepan-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[cyclopropyl(ethoxy)methyl]-5-(1,4-diazepan-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[cyclopropyl(ethoxy)methyl]-5-(1,4-diazepan-1-ylmethyl)-1,2,4-oxadiazole is CCOC(c1noc(CN2CCCNCC2)n1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(ethoxy)methyl]-5-(1,4-diazepan-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is OVAFETRZKPMDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-2-19-13(11-4-5-11)14-16-12(20-17-14)10-18-8-3-6-15-7-9-18/h11,13,15H,2-10H2,1H3.
What are the key properties of 3-[cyclopropyl(ethoxy)methyl]-5-(1,4-diazepan-1-ylmethyl)-1,2,4-oxadiazole?
3-[cyclopropyl(ethoxy)methyl]-5-(1,4-diazepan-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 280.37 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(ethoxy)methyl]-5-(1,4-diazepan-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 116703838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).