3-(4-chloro-3-fluorophenyl)-5-(2,2-dimethyl-3,4-dihydropyran-6-yl)-1,2,4-oxadiazole

C15H14ClFN2O2 — CID 175997002

IUPAC3-(4-chloro-3-fluorophenyl)-5-(2,2-dimethyl-3,4-dihydropyran-6-yl)-1,2,4-oxadiazole
SMILESCC1(C)CCC=C(c2nc(-c3ccc(Cl)c(F)c3)no2)O1
InChIInChI=1S/C15H14ClFN2O2/c1-15(2)7-3-4-12(20-15)14-18-13(19-21-14)9-5-6-10(16)11(17)8-9/h4-6,8H,3,7H2,1-2H3
InChIKeyMSZQRLFAALTDRP-UHFFFAOYSA-N
MW308.74 g/mol
LogP4.46
Rot. Bonds2

About 3-(4-chloro-3-fluorophenyl)-5-(2,2-dimethyl-3,4-dihydropyran-6-yl)-1,2,4-oxadiazole

3-(4-chloro-3-fluorophenyl)-5-(2,2-dimethyl-3,4-dihydropyran-6-yl)-1,2,4-oxadiazole (PubChem CID 175997002) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-5-(2,2-dimethyl-3,4-dihydropyran-6-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-5-(2,2-dimethyl-3,4-dihydropyran-6-yl)-1,2,4-oxadiazole
PubChem CID175997002
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name3-(4-chloro-3-fluorophenyl)-5-(2,2-dimethyl-3,4-dihydropyran-6-yl)-1,2,4-oxadiazole
SMILESCC1(C)CCC=C(c2nc(-c3ccc(Cl)c(F)c3)no2)O1
InChIInChI=1S/C15H14ClFN2O2/c1-15(2)7-3-4-12(20-15)14-18-13(19-21-14)9-5-6-10(16)11(17)8-9/h4-6,8H,3,7H2,1-2H3
InChIKeyMSZQRLFAALTDRP-UHFFFAOYSA-N
XLogP4.46
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-chloro-3-fluorophenyl)-5-(2,2-dimethyl-3,4-dihydropyran-6-yl)-1,2,4-oxadiazole 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

3-(4-chloro-3-fluorophenyl)-5-methyl-1,2,4-oxadiazole
CID 170771267
3-(4-chloro-3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 95733033
5-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811657
3-(1-chloroethyl)-5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazole
CID 107989150
4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 81494253
1-[5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 104879923
5-(4-chloro-3-fluorophenyl)-3-(methoxymethyl)-1,2,4-oxadiazole
CID 84593426
3-[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-chlorophenyl)pyridazin-4-one
CID 53135329
5-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-chloroaniline
CID 82788167
4-[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 107916360
4-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-chloroaniline
CID 82789550
2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813381

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-5-(2,2-dimethyl-3,4-dihydropyran-6-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-5-(2,2-dimethyl-3,4-dihydropyran-6-yl)-1,2,4-oxadiazole (CID 175997002) is 3-(4-chloro-3-fluorophenyl)-5-(2,2-dimethyl-3,4-dihydropyran-6-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-5-(2,2-dimethyl-3,4-dihydropyran-6-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-5-(2,2-dimethyl-3,4-dihydropyran-6-yl)-1,2,4-oxadiazole is CC1(C)CCC=C(c2nc(-c3ccc(Cl)c(F)c3)no2)O1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-5-(2,2-dimethyl-3,4-dihydropyran-6-yl)-1,2,4-oxadiazole?
The InChIKey is MSZQRLFAALTDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-15(2)7-3-4-12(20-15)14-18-13(19-21-14)9-5-6-10(16)11(17)8-9/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 3-(4-chloro-3-fluorophenyl)-5-(2,2-dimethyl-3,4-dihydropyran-6-yl)-1,2,4-oxadiazole?
3-(4-chloro-3-fluorophenyl)-5-(2,2-dimethyl-3,4-dihydropyran-6-yl)-1,2,4-oxadiazole has a molecular weight of 308.74 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-5-(2,2-dimethyl-3,4-dihydropyran-6-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 175997002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).