2-[[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile

C20H18N4O2 — CID 125141312

IUPAC2-[[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1CN1CCOC[C@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C20H18N4O2/c21-12-16-8-4-5-9-17(16)13-24-10-11-25-14-18(24)20-22-19(23-26-20)15-6-2-1-3-7-15/h1-9,18H,10-11,13-14H2/t18-/m0/s1
InChIKeySAIDGBAPVUNRQM-SFHVURJKSA-N
MW346.39 g/mol
LogP3.18
Rot. Bonds4

About 2-[[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile

2-[[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile (PubChem CID 125141312) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile
PubChem CID125141312
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-[[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1CN1CCOC[C@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C20H18N4O2/c21-12-16-8-4-5-9-17(16)13-24-10-11-25-14-18(24)20-22-19(23-26-20)15-6-2-1-3-7-15/h1-9,18H,10-11,13-14H2/t18-/m0/s1
InChIKeySAIDGBAPVUNRQM-SFHVURJKSA-N
XLogP3.18
TPSA75.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile?
The IUPAC name of 2-[[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile (CID 125141312) is 2-[[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile is N#Cc1ccccc1CN1CCOC[C@H]1c1nc(-c2ccccc2)no1.
What is the InChIKey of 2-[[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile?
The InChIKey is SAIDGBAPVUNRQM-SFHVURJKSA-N. The full InChI is InChI=1S/C20H18N4O2/c21-12-16-8-4-5-9-17(16)13-24-10-11-25-14-18(24)20-22-19(23-26-20)15-6-2-1-3-7-15/h1-9,18H,10-11,13-14H2/t18-/m0/s1.
What are the key properties of 2-[[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile?
2-[[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile has a molecular weight of 346.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile is sourced from PubChem (CID 125141312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).