N-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide

C16H11ClFN3O2 — CID 110392708

IUPACN-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H11ClFN3O2/c1-9-12(17)3-2-4-13(9)19-14(22)16-21-20-15(23-16)10-5-7-11(18)8-6-10/h2-8H,1H3,(H,19,22)
InChIKeyPOHDICOXGBDBHU-UHFFFAOYSA-N
MW331.73 g/mol
LogP4.09
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide

N-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392708) has the molecular formula C16H11ClFN3O2 and a molecular weight of 331.73 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392708
Molecular FormulaC16H11ClFN3O2
Molecular Weight331.73 g/mol
Exact Mass331.05
IUPAC NameN-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H11ClFN3O2/c1-9-12(17)3-2-4-13(9)19-14(22)16-21-20-15(23-16)10-5-7-11(18)8-6-10/h2-8H,1H3,(H,19,22)
InChIKeyPOHDICOXGBDBHU-UHFFFAOYSA-N
XLogP4.09
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.73
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41466869
N-(2,3-dimethylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392130
N-(3-chloro-4-fluorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392712
5-(3-fluorophenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392497
1-(3-chloro-2-methylphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 46384272
N-(3-bromophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392748
methyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
CID 110391617
N-(3-chloro-2-methylphenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128462
N-(5-chloro-2-methoxyphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392529
5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391121
N-(3-chloro-2-methylphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270429
2-bromo-N-(3-chloro-2-methylphenyl)-4-fluorobenzamide
CID 24699585

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110392708) is N-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide is Cc1c(Cl)cccc1NC(=O)c1nnc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is POHDICOXGBDBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O2/c1-9-12(17)3-2-4-13(9)19-14(22)16-21-20-15(23-16)10-5-7-11(18)8-6-10/h2-8H,1H3,(H,19,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
N-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 331.73 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).