2-[4-(4-thiomorpholin-4-ylphenyl)-1,3-oxazol-2-yl]benzonitrile

C20H17N3OS — CID 144828317

IUPAC2-[4-(4-thiomorpholin-4-ylphenyl)-1,3-oxazol-2-yl]benzonitrile
SMILESN#Cc1ccccc1-c1nc(-c2ccc(N3CCSCC3)cc2)co1
InChIInChI=1S/C20H17N3OS/c21-13-16-3-1-2-4-18(16)20-22-19(14-24-20)15-5-7-17(8-6-15)23-9-11-25-12-10-23/h1-8,14H,9-12H2
InChIKeyGUOWYBHHMZNVRP-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.43
Rot. Bonds3

About 2-[4-(4-thiomorpholin-4-ylphenyl)-1,3-oxazol-2-yl]benzonitrile

2-[4-(4-thiomorpholin-4-ylphenyl)-1,3-oxazol-2-yl]benzonitrile (PubChem CID 144828317) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[4-(4-thiomorpholin-4-ylphenyl)-1,3-oxazol-2-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-(4-thiomorpholin-4-ylphenyl)-1,3-oxazol-2-yl]benzonitrile
PubChem CID144828317
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name2-[4-(4-thiomorpholin-4-ylphenyl)-1,3-oxazol-2-yl]benzonitrile
SMILESN#Cc1ccccc1-c1nc(-c2ccc(N3CCSCC3)cc2)co1
InChIInChI=1S/C20H17N3OS/c21-13-16-3-1-2-4-18(16)20-22-19(14-24-20)15-5-7-17(8-6-15)23-9-11-25-12-10-23/h1-8,14H,9-12H2
InChIKeyGUOWYBHHMZNVRP-UHFFFAOYSA-N
XLogP4.43
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-1,3-oxazol-2-yl]benzonitrile
CID 144828334
2-(4-methyl-3-pyridinyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-oxazole
CID 86217446
4-[4-[2-(3-fluoro-4-pyridinyl)-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide
CID 144828418
2-thiomorpholin-4-ylpyridine-3-carbonitrile
CID 28787469
2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]benzonitrile
CID 134327531
4-[4-(2-cyanophenyl)phenyl]-N-(2-ethynyl-1,3-thiazol-4-yl)piperazine-1-carboxamide
CID 167101408
2-bromo-4-(1,4-thiazepan-4-yl)benzonitrile
CID 107276033
4-[4-[2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide
CID 144828436
2-(4-thiomorpholin-4-ylphenyl)indene-1,3-dione
CID 1387376
2-[6-phenyl-2-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidin-4-yl]benzonitrile
CID 168836971
3-methyl-4-[4-(4-thiomorpholin-4-ylphenyl)pyrazol-1-yl]benzonitrile
CID 166813597
5-(4-thiomorpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 175818146

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-thiomorpholin-4-ylphenyl)-1,3-oxazol-2-yl]benzonitrile?
The IUPAC name of 2-[4-(4-thiomorpholin-4-ylphenyl)-1,3-oxazol-2-yl]benzonitrile (CID 144828317) is 2-[4-(4-thiomorpholin-4-ylphenyl)-1,3-oxazol-2-yl]benzonitrile.
What is the SMILES notation for 2-[4-(4-thiomorpholin-4-ylphenyl)-1,3-oxazol-2-yl]benzonitrile?
The canonical SMILES for 2-[4-(4-thiomorpholin-4-ylphenyl)-1,3-oxazol-2-yl]benzonitrile is N#Cc1ccccc1-c1nc(-c2ccc(N3CCSCC3)cc2)co1.
What is the InChIKey of 2-[4-(4-thiomorpholin-4-ylphenyl)-1,3-oxazol-2-yl]benzonitrile?
The InChIKey is GUOWYBHHMZNVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c21-13-16-3-1-2-4-18(16)20-22-19(14-24-20)15-5-7-17(8-6-15)23-9-11-25-12-10-23/h1-8,14H,9-12H2.
What are the key properties of 2-[4-(4-thiomorpholin-4-ylphenyl)-1,3-oxazol-2-yl]benzonitrile?
2-[4-(4-thiomorpholin-4-ylphenyl)-1,3-oxazol-2-yl]benzonitrile has a molecular weight of 347.44 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-thiomorpholin-4-ylphenyl)-1,3-oxazol-2-yl]benzonitrile is sourced from PubChem (CID 144828317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).