2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetonitrile

C11H7FN2O — CID 82397195

IUPAC2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetonitrile
SMILESN#CCc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C11H7FN2O/c12-9-3-1-8(2-4-9)10-7-14-11(15-10)5-6-13/h1-4,7H,5H2
InChIKeyBDEFPDWGLZDLEY-UHFFFAOYSA-N
MW202.19 g/mol
LogP2.55
Rot. Bonds2

About 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetonitrile

2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetonitrile (PubChem CID 82397195) has the molecular formula C11H7FN2O and a molecular weight of 202.19 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetonitrile
PubChem CID82397195
Molecular FormulaC11H7FN2O
Molecular Weight202.19 g/mol
Exact Mass202.05
IUPAC Name2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetonitrile
SMILESN#CCc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C11H7FN2O/c12-9-3-1-8(2-4-9)10-7-14-11(15-10)5-6-13/h1-4,7H,5H2
InChIKeyBDEFPDWGLZDLEY-UHFFFAOYSA-N
XLogP2.55
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-phenyl-1,3-oxazol-2-yl)acetonitrile
CID 12639620
1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 3049275
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65182883
[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-phenylphosphane
CID 71175511
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenol
CID 62001067
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-2-methylpropan-1-ol
CID 115637995
2-[ethyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol
CID 60686062
N-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65185138
(4-bromophenyl)methyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium
CID 8539583
3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 9416941
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 94556875
N-ethyl-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)propanamide
CID 78855488

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetonitrile?
The IUPAC name of 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetonitrile (CID 82397195) is 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetonitrile?
The canonical SMILES for 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetonitrile is N#CCc1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetonitrile?
The InChIKey is BDEFPDWGLZDLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O/c12-9-3-1-8(2-4-9)10-7-14-11(15-10)5-6-13/h1-4,7H,5H2.
What are the key properties of 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetonitrile?
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetonitrile has a molecular weight of 202.19 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetonitrile is sourced from PubChem (CID 82397195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).