4-fluoro-2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile

C15H9FN2O2 — CID 103759989

IUPAC4-fluoro-2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile
SMILESN#Cc1ccc(F)cc1Cn1c(=O)oc2ccccc21
InChIInChI=1S/C15H9FN2O2/c16-12-6-5-10(8-17)11(7-12)9-18-13-3-1-2-4-14(13)20-15(18)19/h1-7H,9H2
InChIKeySNRKDRBIPPJQOV-UHFFFAOYSA-N
MW268.25 g/mol
LogP2.65
Rot. Bonds2

About 4-fluoro-2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile

4-fluoro-2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile (PubChem CID 103759989) has the molecular formula C15H9FN2O2 and a molecular weight of 268.25 g/mol. Its IUPAC name is 4-fluoro-2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-fluoro-2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile
PubChem CID103759989
Molecular FormulaC15H9FN2O2
Molecular Weight268.25 g/mol
Exact Mass268.06
IUPAC Name4-fluoro-2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile
SMILESN#Cc1ccc(F)cc1Cn1c(=O)oc2ccccc21
InChIInChI=1S/C15H9FN2O2/c16-12-6-5-10(8-17)11(7-12)9-18-13-3-1-2-4-14(13)20-15(18)19/h1-7H,9H2
InChIKeySNRKDRBIPPJQOV-UHFFFAOYSA-N
XLogP2.65
TPSA58.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-amino-2-oxo-1,3-benzoxazol-3-yl)methyl]-4-fluorobenzonitrile
CID 107905067
2-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile
CID 82344597
2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile
CID 8986663
2-[[6-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]methyl]benzonitrile
CID 82357369
2-[(2,4-dioxo-1H-pyrimidin-3-yl)methyl]-4-fluorobenzonitrile
CID 114014805
4-fluoro-2-[(2-oxo-1-pyridinyl)methyl]benzonitrile
CID 103759921
4-fluoro-2-[(4-oxocinnolin-1-yl)methyl]benzonitrile
CID 103760292
3-[(2-amino-5-nitrophenyl)methyl]-1,3-benzoxazol-2-one
CID 62208000
3-[(2-amino-4-chlorophenyl)methyl]-1,3-benzoxazol-2-one
CID 62100918
2-[[3-(aminomethyl)indol-1-yl]methyl]-4-fluorobenzonitrile
CID 107906645
2-[(5-fluoro-3-methyl-2-oxobenzimidazol-1-yl)methyl]benzonitrile
CID 141343202
N-cyano-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 79194815

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile?
The IUPAC name of 4-fluoro-2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile (CID 103759989) is 4-fluoro-2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile.
What is the SMILES notation for 4-fluoro-2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile?
The canonical SMILES for 4-fluoro-2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile is N#Cc1ccc(F)cc1Cn1c(=O)oc2ccccc21.
What is the InChIKey of 4-fluoro-2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile?
The InChIKey is SNRKDRBIPPJQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O2/c16-12-6-5-10(8-17)11(7-12)9-18-13-3-1-2-4-14(13)20-15(18)19/h1-7H,9H2.
What are the key properties of 4-fluoro-2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile?
4-fluoro-2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile has a molecular weight of 268.25 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile is sourced from PubChem (CID 103759989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).