5-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine

C16H14ClN3O — CID 24866777

IUPAC5-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1ccccc1Nc1nnc(Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C16H14ClN3O/c1-11-4-2-3-5-14(11)18-16-20-19-15(21-16)10-12-6-8-13(17)9-7-12/h2-9H,10H2,1H3,(H,18,20)
InChIKeyRDAQSWBIAHQUHL-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.37
Rot. Bonds4

About 5-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine

5-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 24866777) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID24866777
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name5-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1ccccc1Nc1nnc(Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C16H14ClN3O/c1-11-4-2-3-5-14(11)18-16-20-19-15(21-16)10-12-6-8-13(17)9-7-12/h2-9H,10H2,1H3,(H,18,20)
InChIKeyRDAQSWBIAHQUHL-UHFFFAOYSA-N
XLogP4.37
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-N-(3-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-amine
CID 141297233
N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968128
5-[(3,4-dichlorophenyl)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 101347553
4-[[5-(2,3,4-trifluoroanilino)-1,3,4-oxadiazol-2-yl]methyl]phenol
CID 110456393
5-[(tert-butylamino)methyl]-N-(5-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106966090
4-chloro-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973708
N-(4-chlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 23636122
N-(2-bromo-3-methylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106958287
2-bromo-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole
CID 82306710
5-(2-chloroethyl)-N-(2-chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 106956442
3-[2-[[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]amino]phenyl]propanamide
CID 146021000
5-(2-aminoethyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 106966390

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine (CID 24866777) is 5-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine is Cc1ccccc1Nc1nnc(Cc2ccc(Cl)cc2)o1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is RDAQSWBIAHQUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-11-4-2-3-5-14(11)18-16-20-19-15(21-16)10-12-6-8-13(17)9-7-12/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of 5-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine?
5-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 299.76 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 24866777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).