5-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine

C16H14ClN3O — CID 155811575

IUPAC5-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(Nc2nnc(-c3ccc(Cl)cc3)o2)c(C)c1
InChIInChI=1S/C16H14ClN3O/c1-10-3-8-14(11(2)9-10)18-16-20-19-15(21-16)12-4-6-13(17)7-5-12/h3-9H,1-2H3,(H,18,20)
InChIKeyKRKMSLTZMBJABR-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.75
Rot. Bonds3

About 5-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine

5-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 155811575) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID155811575
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name5-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(Nc2nnc(-c3ccc(Cl)cc3)o2)c(C)c1
InChIInChI=1S/C16H14ClN3O/c1-10-3-8-14(11(2)9-10)18-16-20-19-15(21-16)12-4-6-13(17)7-5-12/h3-9H,1-2H3,(H,18,20)
InChIKeyKRKMSLTZMBJABR-UHFFFAOYSA-N
XLogP4.75
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 122395303
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,4-dimethylaniline
CID 110652448
4-chloro-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]phenol
CID 176729719
5-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 86058835
N-[4-[5-(2,4-dimethylanilino)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide
CID 10500298
5-(1-chloroethyl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 106956414
N-(4-bromophenyl)-5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 70676807
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 16879880
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 7254564
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethylaniline
CID 91674289
(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanal
CID 178127775
4-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 8608540

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine (CID 155811575) is 5-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine is Cc1ccc(Nc2nnc(-c3ccc(Cl)cc3)o2)c(C)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is KRKMSLTZMBJABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-10-3-8-14(11(2)9-10)18-16-20-19-15(21-16)12-4-6-13(17)7-5-12/h3-9H,1-2H3,(H,18,20).
What are the key properties of 5-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine?
5-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 299.76 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 155811575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).