3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

C14H17N3O3 — CID 115532985

IUPAC3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCCOc1ccccc1-c1noc(C2(N)CCOC2)n1
InChIInChI=1S/C14H17N3O3/c1-2-19-11-6-4-3-5-10(11)12-16-13(20-17-12)14(15)7-8-18-9-14/h3-6H,2,7-9,15H2,1H3
InChIKeyFAIJRRNHHAVTPG-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.71
Rot. Bonds4

About 3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 115532985) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound Name3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID115532985
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCCOc1ccccc1-c1noc(C2(N)CCOC2)n1
InChIInChI=1S/C14H17N3O3/c1-2-19-11-6-4-3-5-10(11)12-16-13(20-17-12)14(15)7-8-18-9-14/h3-6H,2,7-9,15H2,1H3
InChIKeyFAIJRRNHHAVTPG-UHFFFAOYSA-N
XLogP1.71
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82764126
4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 115292579
3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 79719778
2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115533112
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 64888824
3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 64888822
4-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 115292568
1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 115534402
1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 62716117
3-ethoxy-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine
CID 120835501
3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 115534479
3-[2-(difluoromethoxy)phenyl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole
CID 126805804

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of 3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 115532985) is 3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for 3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for 3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is CCOc1ccccc1-c1noc(C2(N)CCOC2)n1.
What is the InChIKey of 3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is FAIJRRNHHAVTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-19-11-6-4-3-5-10(11)12-16-13(20-17-12)14(15)7-8-18-9-14/h3-6H,2,7-9,15H2,1H3.
What are the key properties of 3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 275.31 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 115532985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).