2-fluoro-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile

C14H9FN4OS — CID 106524590

IUPAC2-fluoro-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESCc1nc(Cc2noc(-c3cccc(F)c3C#N)n2)cs1
InChIInChI=1S/C14H9FN4OS/c1-8-17-9(7-21-8)5-13-18-14(20-19-13)10-3-2-4-12(15)11(10)6-16/h2-4,7H,5H2,1H3
InChIKeyYWYYSXKLOPZOKO-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.10
Rot. Bonds3

About 2-fluoro-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile

2-fluoro-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile (PubChem CID 106524590) has the molecular formula C14H9FN4OS and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-fluoro-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile
PubChem CID106524590
Molecular FormulaC14H9FN4OS
Molecular Weight300.32 g/mol
Exact Mass300.05
IUPAC Name2-fluoro-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESCc1nc(Cc2noc(-c3cccc(F)c3C#N)n2)cs1
InChIInChI=1S/C14H9FN4OS/c1-8-17-9(7-21-8)5-13-18-14(20-19-13)10-3-2-4-12(15)11(10)6-16/h2-4,7H,5H2,1H3
InChIKeyYWYYSXKLOPZOKO-UHFFFAOYSA-N
XLogP3.10
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile with MolForge

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Related Compounds

2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-6-fluorobenzonitrile
CID 106523607
2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzoic acid
CID 62799486
5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]-1H-pyrrole-3-carbonitrile
CID 136908918
2,4-dimethyl-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 63112673
2-fluoro-6-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106525614
4-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzoic acid
CID 62925499
N-methyl-1-[5-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120867495
2-fluoro-6-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 106527582
2-fluoro-6-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106527271
2-bromo-5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 104937973
4-methyl-5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 62798415
2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 106526414

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile?
The IUPAC name of 2-fluoro-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile (CID 106524590) is 2-fluoro-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile?
The canonical SMILES for 2-fluoro-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile is Cc1nc(Cc2noc(-c3cccc(F)c3C#N)n2)cs1.
What is the InChIKey of 2-fluoro-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile?
The InChIKey is YWYYSXKLOPZOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4OS/c1-8-17-9(7-21-8)5-13-18-14(20-19-13)10-3-2-4-12(15)11(10)6-16/h2-4,7H,5H2,1H3.
What are the key properties of 2-fluoro-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile?
2-fluoro-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile has a molecular weight of 300.32 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile is sourced from PubChem (CID 106524590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).