2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetonitrile

C15H8ClFN2O2 — CID 14012513

IUPAC2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetonitrile
SMILESN#CCOc1ccc2c(-c3ccccc3F)noc2c1Cl
InChIInChI=1S/C15H8ClFN2O2/c16-13-12(20-8-7-18)6-5-10-14(19-21-15(10)13)9-3-1-2-4-11(9)17/h1-6H,8H2
InChIKeyJLUSGMQYMPLVAE-UHFFFAOYSA-N
MW302.69 g/mol
LogP4.19
Rot. Bonds3

About 2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetonitrile

2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetonitrile (PubChem CID 14012513) has the molecular formula C15H8ClFN2O2 and a molecular weight of 302.69 g/mol. Its IUPAC name is 2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetonitrile.

Molecular Properties

Compound Name2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetonitrile
PubChem CID14012513
Molecular FormulaC15H8ClFN2O2
Molecular Weight302.69 g/mol
Exact Mass302.03
IUPAC Name2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetonitrile
SMILESN#CCOc1ccc2c(-c3ccccc3F)noc2c1Cl
InChIInChI=1S/C15H8ClFN2O2/c16-13-12(20-8-7-18)6-5-10-14(19-21-15(10)13)9-3-1-2-4-11(9)17/h1-6H,8H2
InChIKeyJLUSGMQYMPLVAE-UHFFFAOYSA-N
XLogP4.19
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.69
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetate
CID 13015713
2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]-3-phenylpropanoic acid
CID 70416091
2-[[7-chloro-3-(4-hydroxyphenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid
CID 135575487
3-(2-fluorophenyl)-4,5-dimethyl-1,2-oxazole
CID 174666192
2-[2-(3-fluorophenyl)phenoxy]acetonitrile
CID 91290216
2-(5-fluoroquinolin-8-yl)oxyacetonitrile
CID 71319995
2-(2,6-dichlorophenoxy)acetonitrile
CID 2799245
2-[3-(aminomethyl)-2-chlorophenoxy]acetonitrile
CID 131209243
2-[[3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid
CID 13015739
2-(cyanomethoxy)benzonitrile
CID 4156437
2-chloro-4-(2-fluorophenyl)benzonitrile
CID 46314397
[5-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866878

Frequently Asked Questions

What is the IUPAC name of 2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetonitrile?
The IUPAC name of 2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetonitrile (CID 14012513) is 2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetonitrile.
What is the SMILES notation for 2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetonitrile?
The canonical SMILES for 2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetonitrile is N#CCOc1ccc2c(-c3ccccc3F)noc2c1Cl.
What is the InChIKey of 2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetonitrile?
The InChIKey is JLUSGMQYMPLVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClFN2O2/c16-13-12(20-8-7-18)6-5-10-14(19-21-15(10)13)9-3-1-2-4-11(9)17/h1-6H,8H2.
What are the key properties of 2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetonitrile?
2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetonitrile has a molecular weight of 302.69 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetonitrile is sourced from PubChem (CID 14012513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).