3-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzonitrile

C11H7FN2OS — CID 106922405

IUPAC3-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzonitrile
SMILESCc1coc(Sc2cc(F)cc(C#N)c2)n1
InChIInChI=1S/C11H7FN2OS/c1-7-6-15-11(14-7)16-10-3-8(5-13)2-9(12)4-10/h2-4,6H,1H3
InChIKeyPKXIUGVITRIJCO-UHFFFAOYSA-N
MW234.25 g/mol
LogP3.14
Rot. Bonds2

About 3-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzonitrile

3-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzonitrile (PubChem CID 106922405) has the molecular formula C11H7FN2OS and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzonitrile
PubChem CID106922405
Molecular FormulaC11H7FN2OS
Molecular Weight234.25 g/mol
Exact Mass234.03
IUPAC Name3-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzonitrile
SMILESCc1coc(Sc2cc(F)cc(C#N)c2)n1
InChIInChI=1S/C11H7FN2OS/c1-7-6-15-11(14-7)16-10-3-8(5-13)2-9(12)4-10/h2-4,6H,1H3
InChIKeyPKXIUGVITRIJCO-UHFFFAOYSA-N
XLogP3.14
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzonitrile
CID 99825618
4-Fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzonitrile
CID 103520148
4-Fluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzonitrile
CID 103520157
2-Fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzonitrile
CID 103525447
3,5-Difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzonitrile
CID 106922397
3-Fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzonitrile
CID 106922412
5-Fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzonitrile
CID 106922415
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)benzonitrile
CID 106922422
2-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-5-(trifluoromethyl)benzonitrile
CID 106922423
5-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)benzonitrile
CID 106922426
4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,5-difluorobenzonitrile
CID 106922436
3-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluorobenzonitrile
CID 106922442

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzonitrile?
The IUPAC name of 3-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzonitrile (CID 106922405) is 3-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzonitrile.
What is the SMILES notation for 3-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzonitrile?
The canonical SMILES for 3-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzonitrile is Cc1coc(Sc2cc(F)cc(C#N)c2)n1.
What is the InChIKey of 3-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzonitrile?
The InChIKey is PKXIUGVITRIJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2OS/c1-7-6-15-11(14-7)16-10-3-8(5-13)2-9(12)4-10/h2-4,6H,1H3.
What are the key properties of 3-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzonitrile?
3-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzonitrile has a molecular weight of 234.25 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzonitrile is sourced from PubChem (CID 106922405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).