(2R,3S)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine

C14H17N3O3 — CID 120955592

IUPAC(2R,3S)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine
SMILESCOc1ccccc1-c1noc([C@H]2NCCO[C@@H]2C)n1
InChIInChI=1S/C14H17N3O3/c1-9-12(15-7-8-19-9)14-16-13(17-20-14)10-5-3-4-6-11(10)18-2/h3-6,9,12,15H,7-8H2,1-2H3/t9-,12+/m1/s1
InChIKeyLURNNKHLFPZCDI-SKDRFNHKSA-N
MW275.31 g/mol
LogP1.79
Rot. Bonds3

About (2R,3S)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine

(2R,3S)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine (PubChem CID 120955592) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is (2R,3S)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine.

Molecular Properties

Compound Name(2R,3S)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine
PubChem CID120955592
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name(2R,3S)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine
SMILESCOc1ccccc1-c1noc([C@H]2NCCO[C@@H]2C)n1
InChIInChI=1S/C14H17N3O3/c1-9-12(15-7-8-19-9)14-16-13(17-20-14)10-5-3-4-6-11(10)18-2/h3-6,9,12,15H,7-8H2,1-2H3/t9-,12+/m1/s1
InChIKeyLURNNKHLFPZCDI-SKDRFNHKSA-N
XLogP1.79
TPSA69.41 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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine
CID 120955679
3-(2-methoxyphenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93093295
(2R,3S)-2-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 120955597
(2R,3S)-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide
CID 120936859
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63346269
5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 120835468
5-(4,4-difluoropyrrolidin-2-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 120835482
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474338
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
CID 63344313
3-(5-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 82624437
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylmorpholine
CID 122236512
5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 102429088

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine?
The IUPAC name of (2R,3S)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine (CID 120955592) is (2R,3S)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine.
What is the SMILES notation for (2R,3S)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine?
The canonical SMILES for (2R,3S)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine is COc1ccccc1-c1noc([C@H]2NCCO[C@@H]2C)n1.
What is the InChIKey of (2R,3S)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine?
The InChIKey is LURNNKHLFPZCDI-SKDRFNHKSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-12(15-7-8-19-9)14-16-13(17-20-14)10-5-3-4-6-11(10)18-2/h3-6,9,12,15H,7-8H2,1-2H3/t9-,12+/m1/s1.
What are the key properties of (2R,3S)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine?
(2R,3S)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine has a molecular weight of 275.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine is sourced from PubChem (CID 120955592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).