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

C17H19N5O3 — CID 95974531

IUPAC(2S)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(1-methylpyrazol-4-yl)morpholine
SMILESCOc1cccc(-c2noc(N3CCO[C@@H](c4cnn(C)c4)C3)n2)c1
InChIInChI=1S/C17H19N5O3/c1-21-10-13(9-18-21)15-11-22(6-7-24-15)17-19-16(20-25-17)12-4-3-5-14(8-12)23-2/h3-5,8-10,15H,6-7,11H2,1-2H3/t15-/m1/s1
InChIKeyFGGUGLMBQNXJRU-OAHLLOKOSA-N
MW341.37 g/mol
LogP2.06
Rot. Bonds4

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

(2S)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 95974531) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is (2S)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID95974531
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name(2S)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(1-methylpyrazol-4-yl)morpholine
SMILESCOc1cccc(-c2noc(N3CCO[C@@H](c4cnn(C)c4)C3)n2)c1
InChIInChI=1S/C17H19N5O3/c1-21-10-13(9-18-21)15-11-22(6-7-24-15)17-19-16(20-25-17)12-4-3-5-14(8-12)23-2/h3-5,8-10,15H,6-7,11H2,1-2H3/t15-/m1/s1
InChIKeyFGGUGLMBQNXJRU-OAHLLOKOSA-N
XLogP2.06
TPSA78.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of (2S)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(1-methylpyrazol-4-yl)morpholine (CID 95974531) is (2S)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for (2S)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for (2S)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(1-methylpyrazol-4-yl)morpholine is COc1cccc(-c2noc(N3CCO[C@@H](c4cnn(C)c4)C3)n2)c1.
What is the InChIKey of (2S)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is FGGUGLMBQNXJRU-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-21-10-13(9-18-21)15-11-22(6-7-24-15)17-19-16(20-25-17)12-4-3-5-14(8-12)23-2/h3-5,8-10,15H,6-7,11H2,1-2H3/t15-/m1/s1.
What are the key properties of (2S)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(1-methylpyrazol-4-yl)morpholine?
(2S)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 341.37 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 95974531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).