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

C16H11ClFN3O2 — CID 110392339

IUPACN-(4-chloro-2-methylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1nnc(-c2ccccc2F)o1
InChIInChI=1S/C16H11ClFN3O2/c1-9-8-10(17)6-7-13(9)19-14(22)16-21-20-15(23-16)11-4-2-3-5-12(11)18/h2-8H,1H3,(H,19,22)
InChIKeyQPKQFDMHQBLQDI-UHFFFAOYSA-N
MW331.73 g/mol
LogP4.09
Rot. Bonds3

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

N-(4-chloro-2-methylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392339) has the molecular formula C16H11ClFN3O2 and a molecular weight of 331.73 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392339
Molecular FormulaC16H11ClFN3O2
Molecular Weight331.73 g/mol
Exact Mass331.05
IUPAC NameN-(4-chloro-2-methylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1nnc(-c2ccccc2F)o1
InChIInChI=1S/C16H11ClFN3O2/c1-9-8-10(17)6-7-13(9)19-14(22)16-21-20-15(23-16)11-4-2-3-5-12(11)18/h2-8H,1H3,(H,19,22)
InChIKeyQPKQFDMHQBLQDI-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

5-(2-fluorophenyl)-N-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392375
N-(5-chloro-2-methoxyphenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391768
N-(4-ethylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392324
5-(3-fluorophenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392497
(2S)-N-(4-chloro-2-fluorophenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8889751
5-(2-chlorophenyl)-N-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391288
N-(4-chloro-2-fluorophenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 9404808
N-(5-chloro-2-methoxyphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392529
N-(4-chloro-2-methylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268395
N-(2-methoxy-5-methylphenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391776
N-(4-chloro-2-methylphenyl)-3-fluorobenzamide
CID 2671206
(2R)-N-(3-chlorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7443787

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110392339) is N-(4-chloro-2-methylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1nnc(-c2ccccc2F)o1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is QPKQFDMHQBLQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O2/c1-9-8-10(17)6-7-13(9)19-14(22)16-21-20-15(23-16)11-4-2-3-5-12(11)18/h2-8H,1H3,(H,19,22).
What are the key properties of N-(4-chloro-2-methylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
N-(4-chloro-2-methylphenyl)-5-(2-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-(4-chloro-2-methylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).