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

C17H22N4O4 — CID 120936859

IUPAC(2R,3S)-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide
SMILESCOc1ccccc1-c1noc(C(C)NC(=O)[C@H]2NCCO[C@@H]2C)n1
InChIInChI=1S/C17H22N4O4/c1-10(19-16(22)14-11(2)24-9-8-18-14)17-20-15(21-25-17)12-6-4-5-7-13(12)23-3/h4-7,10-11,14,18H,8-9H2,1-3H3,(H,19,22)/t10?,11-,14+/m1/s1
InChIKeyVECBHTKOEJEDIU-DRKXBUQZSA-N
MW346.39 g/mol
LogP1.30
Rot. Bonds5

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

(2R,3S)-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120936859) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is (2R,3S)-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide
PubChem CID120936859
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name(2R,3S)-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide
SMILESCOc1ccccc1-c1noc(C(C)NC(=O)[C@H]2NCCO[C@@H]2C)n1
InChIInChI=1S/C17H22N4O4/c1-10(19-16(22)14-11(2)24-9-8-18-14)17-20-15(21-25-17)12-6-4-5-7-13(12)23-3/h4-7,10-11,14,18H,8-9H2,1-3H3,(H,19,22)/t10?,11-,14+/m1/s1
InChIKeyVECBHTKOEJEDIU-DRKXBUQZSA-N
XLogP1.30
TPSA98.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide (CID 120936859) is (2R,3S)-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide is COc1ccccc1-c1noc(C(C)NC(=O)[C@H]2NCCO[C@@H]2C)n1.
What is the InChIKey of (2R,3S)-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is VECBHTKOEJEDIU-DRKXBUQZSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-10(19-16(22)14-11(2)24-9-8-18-14)17-20-15(21-25-17)12-6-4-5-7-13(12)23-3/h4-7,10-11,14,18H,8-9H2,1-3H3,(H,19,22)/t10?,11-,14+/m1/s1.
What are the key properties of (2R,3S)-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120936859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).