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

C17H16ClN3O3 — CID 46342174

IUPACN-[(4-chlorophenyl)methyl]-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1cccc(-c2noc(NCc3ccc(Cl)cc3)n2)c1OC
InChIInChI=1S/C17H16ClN3O3/c1-22-14-5-3-4-13(15(14)23-2)16-20-17(24-21-16)19-10-11-6-8-12(18)9-7-11/h3-9H,10H2,1-2H3,(H,19,20,21)
InChIKeyOLVWYZHQMHJBMF-UHFFFAOYSA-N
MW345.79 g/mol
LogP4.02
Rot. Bonds6

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

N-[(4-chlorophenyl)methyl]-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 46342174) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
PubChem CID46342174
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1cccc(-c2noc(NCc3ccc(Cl)cc3)n2)c1OC
InChIInChI=1S/C17H16ClN3O3/c1-22-14-5-3-4-13(15(14)23-2)16-20-17(24-21-16)19-10-11-6-8-12(18)9-7-11/h3-9H,10H2,1-2H3,(H,19,20,21)
InChIKeyOLVWYZHQMHJBMF-UHFFFAOYSA-N
XLogP4.02
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,3-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 20952749
3-(2,3-dimethoxyphenyl)-N-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 20952735
N-cycloheptyl-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342176
N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine
CID 46342000
[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 86261810
2-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 95911504
3-(3,4-dimethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 46342168
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 103934009
N-benzyl-3-(2,3-dimethoxyphenyl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 46342172
3-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 46342235
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 62594321
3-(2,3-dimethoxyphenyl)-5-piperidin-1-yl-1,2,4-oxadiazole
CID 46342204

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine (CID 46342174) is N-[(4-chlorophenyl)methyl]-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine is COc1cccc(-c2noc(NCc3ccc(Cl)cc3)n2)c1OC.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is OLVWYZHQMHJBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-22-14-5-3-4-13(15(14)23-2)16-20-17(24-21-16)19-10-11-6-8-12(18)9-7-11/h3-9H,10H2,1-2H3,(H,19,20,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine?
N-[(4-chlorophenyl)methyl]-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 345.79 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 46342174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).