(2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(pyridin-2-ylmethyl)morpholine

C19H20N4O3 — CID 97344255

IUPAC(2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(pyridin-2-ylmethyl)morpholine
SMILESCOc1ccc(-c2nc([C@@H]3CN(Cc4ccccn4)CCO3)no2)cc1
InChIInChI=1S/C19H20N4O3/c1-24-16-7-5-14(6-8-16)19-21-18(22-26-19)17-13-23(10-11-25-17)12-15-4-2-3-9-20-15/h2-9,17H,10-13H2,1H3/t17-/m0/s1
InChIKeyGPYCPYDMIZKMKH-KRWDZBQOSA-N
MW352.39 g/mol
LogP2.71
Rot. Bonds5

About (2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(pyridin-2-ylmethyl)morpholine

(2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(pyridin-2-ylmethyl)morpholine (PubChem CID 97344255) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is (2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(pyridin-2-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(pyridin-2-ylmethyl)morpholine
PubChem CID97344255
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name(2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(pyridin-2-ylmethyl)morpholine
SMILESCOc1ccc(-c2nc([C@@H]3CN(Cc4ccccn4)CCO3)no2)cc1
InChIInChI=1S/C19H20N4O3/c1-24-16-7-5-14(6-8-16)19-21-18(22-26-19)17-13-23(10-11-25-17)12-15-4-2-3-9-20-15/h2-9,17H,10-13H2,1H3/t17-/m0/s1
InChIKeyGPYCPYDMIZKMKH-KRWDZBQOSA-N
XLogP2.71
TPSA73.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-(pyridin-2-ylmethyl)morpholine
CID 97344246
2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine
CID 75483942
N-ethyl-2-[(2R)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]acetamide
CID 97344606
(2R)-4-(2-methoxyethyl)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97344588
2-methoxy-5-[[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]phenol
CID 97344248
2-methoxy-5-[[2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]phenol
CID 75474380
(2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(4-methoxypyrimidin-2-yl)morpholine
CID 97344123
1-[(2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]butan-1-one
CID 97345130
[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-morpholin-4-ylmethanone
CID 75474719
[4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324970
2-methyl-6-[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]pyridin-4-amine
CID 124991314
N-ethyl-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmorpholine-4-sulfonamide
CID 75474717

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(pyridin-2-ylmethyl)morpholine?
The IUPAC name of (2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(pyridin-2-ylmethyl)morpholine (CID 97344255) is (2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(pyridin-2-ylmethyl)morpholine.
What is the SMILES notation for (2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(pyridin-2-ylmethyl)morpholine?
The canonical SMILES for (2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(pyridin-2-ylmethyl)morpholine is COc1ccc(-c2nc([C@@H]3CN(Cc4ccccn4)CCO3)no2)cc1.
What is the InChIKey of (2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(pyridin-2-ylmethyl)morpholine?
The InChIKey is GPYCPYDMIZKMKH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-24-16-7-5-14(6-8-16)19-21-18(22-26-19)17-13-23(10-11-25-17)12-15-4-2-3-9-20-15/h2-9,17H,10-13H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(pyridin-2-ylmethyl)morpholine?
(2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(pyridin-2-ylmethyl)morpholine has a molecular weight of 352.39 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(pyridin-2-ylmethyl)morpholine is sourced from PubChem (CID 97344255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).