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

C18H19N5O4 — CID 97344123

IUPAC(2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(4-methoxypyrimidin-2-yl)morpholine
SMILESCOc1ccc(-c2nc([C@@H]3CN(c4nccc(OC)n4)CCO3)no2)cc1
InChIInChI=1S/C18H19N5O4/c1-24-13-5-3-12(4-6-13)17-21-16(22-27-17)14-11-23(9-10-26-14)18-19-8-7-15(20-18)25-2/h3-8,14H,9-11H2,1-2H3/t14-/m0/s1
InChIKeyZJDVNDDNGZICLV-AWEZNQCLSA-N
MW369.38 g/mol
LogP2.12
Rot. Bonds5

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

(2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(4-methoxypyrimidin-2-yl)morpholine (PubChem CID 97344123) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is (2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(4-methoxypyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name(2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(4-methoxypyrimidin-2-yl)morpholine
PubChem CID97344123
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name(2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(4-methoxypyrimidin-2-yl)morpholine
SMILESCOc1ccc(-c2nc([C@@H]3CN(c4nccc(OC)n4)CCO3)no2)cc1
InChIInChI=1S/C18H19N5O4/c1-24-13-5-3-12(4-6-13)17-21-16(22-27-17)14-11-23(9-10-26-14)18-19-8-7-15(20-18)25-2/h3-8,14H,9-11H2,1-2H3/t14-/m0/s1
InChIKeyZJDVNDDNGZICLV-AWEZNQCLSA-N
XLogP2.12
TPSA95.63 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(4-methoxypyrimidin-2-yl)morpholine?
The IUPAC name of (2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(4-methoxypyrimidin-2-yl)morpholine (CID 97344123) is (2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(4-methoxypyrimidin-2-yl)morpholine.
What is the SMILES notation for (2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(4-methoxypyrimidin-2-yl)morpholine?
The canonical SMILES for (2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(4-methoxypyrimidin-2-yl)morpholine is COc1ccc(-c2nc([C@@H]3CN(c4nccc(OC)n4)CCO3)no2)cc1.
What is the InChIKey of (2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(4-methoxypyrimidin-2-yl)morpholine?
The InChIKey is ZJDVNDDNGZICLV-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-24-13-5-3-12(4-6-13)17-21-16(22-27-17)14-11-23(9-10-26-14)18-19-8-7-15(20-18)25-2/h3-8,14H,9-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(4-methoxypyrimidin-2-yl)morpholine?
(2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(4-methoxypyrimidin-2-yl)morpholine has a molecular weight of 369.38 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(4-methoxypyrimidin-2-yl)morpholine is sourced from PubChem (CID 97344123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).