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

C19H17N5O2 — CID 129385924

IUPAC3-[5-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]-1,2,4-oxadiazol-3-yl]benzonitrile
SMILESN#Cc1cccc(-c2noc([C@@H]3COCCN3Cc3ccccn3)n2)c1
InChIInChI=1S/C19H17N5O2/c20-11-14-4-3-5-15(10-14)18-22-19(26-23-18)17-13-25-9-8-24(17)12-16-6-1-2-7-21-16/h1-7,10,17H,8-9,12-13H2/t17-/m0/s1
InChIKeyVMNDYVCKMZBYRC-KRWDZBQOSA-N
MW347.38 g/mol
LogP2.58
Rot. Bonds4

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

3-[5-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]-1,2,4-oxadiazol-3-yl]benzonitrile (PubChem CID 129385924) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-[5-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]-1,2,4-oxadiazol-3-yl]benzonitrile.

Molecular Properties

Compound Name3-[5-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]-1,2,4-oxadiazol-3-yl]benzonitrile
PubChem CID129385924
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name3-[5-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]-1,2,4-oxadiazol-3-yl]benzonitrile
SMILESN#Cc1cccc(-c2noc([C@@H]3COCCN3Cc3ccccn3)n2)c1
InChIInChI=1S/C19H17N5O2/c20-11-14-4-3-5-15(10-14)18-22-19(26-23-18)17-13-25-9-8-24(17)12-16-6-1-2-7-21-16/h1-7,10,17H,8-9,12-13H2/t17-/m0/s1
InChIKeyVMNDYVCKMZBYRC-KRWDZBQOSA-N
XLogP2.58
TPSA88.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-[(2S,5S)-5-methyl-1-(pyridin-2-ylmethyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzonitrile
CID 11485175
2-[[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile
CID 125141312
3-[5-[1-[(6-chloro-2-pyridinyl)methyl]piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzonitrile
CID 11326461
3-[5-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzonitrile
CID 11268103
(3R,5S)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 26743854
4-[(4-methyl-1H-pyrazol-5-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 154741352
4-[(2-chloro-6-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 126799625
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]morpholine
CID 99825862
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrrol-2-yl)methyl]morpholine
CID 99825829
3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 51136934
N-propan-2-yl-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97487405
3-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]sulfonylbenzonitrile
CID 97344849

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]-1,2,4-oxadiazol-3-yl]benzonitrile?
The IUPAC name of 3-[5-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]-1,2,4-oxadiazol-3-yl]benzonitrile (CID 129385924) is 3-[5-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]-1,2,4-oxadiazol-3-yl]benzonitrile.
What is the SMILES notation for 3-[5-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]-1,2,4-oxadiazol-3-yl]benzonitrile?
The canonical SMILES for 3-[5-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]-1,2,4-oxadiazol-3-yl]benzonitrile is N#Cc1cccc(-c2noc([C@@H]3COCCN3Cc3ccccn3)n2)c1.
What is the InChIKey of 3-[5-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]-1,2,4-oxadiazol-3-yl]benzonitrile?
The InChIKey is VMNDYVCKMZBYRC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H17N5O2/c20-11-14-4-3-5-15(10-14)18-22-19(26-23-18)17-13-25-9-8-24(17)12-16-6-1-2-7-21-16/h1-7,10,17H,8-9,12-13H2/t17-/m0/s1.
What are the key properties of 3-[5-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]-1,2,4-oxadiazol-3-yl]benzonitrile?
3-[5-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]-1,2,4-oxadiazol-3-yl]benzonitrile has a molecular weight of 347.38 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]-1,2,4-oxadiazol-3-yl]benzonitrile is sourced from PubChem (CID 129385924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).