N-[(4-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine

C15H10Cl3N3O — CID 14675819

IUPACN-[(4-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine
SMILESClc1ccc(CNc2nc(-c3c(Cl)cccc3Cl)no2)cc1
InChIInChI=1S/C15H10Cl3N3O/c16-10-6-4-9(5-7-10)8-19-15-20-14(21-22-15)13-11(17)2-1-3-12(13)18/h1-7H,8H2,(H,19,20,21)
InChIKeyFIVHGARWVLHUOM-UHFFFAOYSA-N
MW354.62 g/mol
LogP5.31
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine

N-[(4-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 14675819) has the molecular formula C15H10Cl3N3O and a molecular weight of 354.62 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine
PubChem CID14675819
Molecular FormulaC15H10Cl3N3O
Molecular Weight354.62 g/mol
Exact Mass352.99
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine
SMILESClc1ccc(CNc2nc(-c3c(Cl)cccc3Cl)no2)cc1
InChIInChI=1S/C15H10Cl3N3O/c16-10-6-4-9(5-7-10)8-19-15-20-14(21-22-15)13-11(17)2-1-3-12(13)18/h1-7H,8H2,(H,19,20,21)
InChIKeyFIVHGARWVLHUOM-UHFFFAOYSA-N
XLogP5.31
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342174
[4-[[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]urea
CID 133333989
3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine
CID 2726389
N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine
CID 46342000
3-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 46342235
3-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 986975
4-tert-butyl-N-[[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 14675688
3-(3-chlorophenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 133380047
5-[(4-tert-butylphenyl)methylsulfanyl]-3-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 14675817
N-[(3-chlorophenyl)methyl]-3-cyclopropyl-1,2,4-oxadiazol-5-amine
CID 75421620
N-[(4-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine
CID 110456378
N-[(3-chloro-2-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 91636185

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine (CID 14675819) is N-[(4-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine is Clc1ccc(CNc2nc(-c3c(Cl)cccc3Cl)no2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is FIVHGARWVLHUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3N3O/c16-10-6-4-9(5-7-10)8-19-15-20-14(21-22-15)13-11(17)2-1-3-12(13)18/h1-7H,8H2,(H,19,20,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine?
N-[(4-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 354.62 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 14675819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).