3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine

C14H17N3O3 — CID 106474338

IUPAC3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
SMILESCOc1ccccc1-c1noc(C2COCCC2N)n1
InChIInChI=1S/C14H17N3O3/c1-18-12-5-3-2-4-9(12)13-16-14(20-17-13)10-8-19-7-6-11(10)15/h2-5,10-11H,6-8,15H2,1H3
InChIKeyRXFNHMMIASTHAK-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.58
Rot. Bonds3

About 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine

3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine (PubChem CID 106474338) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine.

Molecular Properties

Compound Name3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
PubChem CID106474338
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
SMILESCOc1ccccc1-c1noc(C2COCCC2N)n1
InChIInChI=1S/C14H17N3O3/c1-18-12-5-3-2-4-9(12)13-16-14(20-17-13)10-8-19-7-6-11(10)15/h2-5,10-11H,6-8,15H2,1H3
InChIKeyRXFNHMMIASTHAK-UHFFFAOYSA-N
XLogP1.58
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106819970
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66240481
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63346269
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474272
3-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474675
3-(2-methoxyphenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93093295
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
CID 106474380
(2R,3S)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine
CID 120955592
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
CID 63344313
3-(2-methoxyphenyl)-5-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propyl]-1,2,4-oxadiazole
CID 97443372
3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 106474360
5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 120835468

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The IUPAC name of 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine (CID 106474338) is 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine.
What is the SMILES notation for 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The canonical SMILES for 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine is COc1ccccc1-c1noc(C2COCCC2N)n1.
What is the InChIKey of 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The InChIKey is RXFNHMMIASTHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-18-12-5-3-2-4-9(12)13-16-14(20-17-13)10-8-19-7-6-11(10)15/h2-5,10-11H,6-8,15H2,1H3.
What are the key properties of 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine has a molecular weight of 275.31 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine is sourced from PubChem (CID 106474338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).