2-N-(3-chlorophenyl)-6-[[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3,5-triazine-2,4-diamine

C19H16ClN7O2 — CID 123487544

IUPAC2-N-(3-chlorophenyl)-6-[[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1cccc(-c2nc(Cc3nc(N)nc(Nc4cccc(Cl)c4)n3)no2)c1
InChIInChI=1S/C19H16ClN7O2/c1-28-14-7-2-4-11(8-14)17-23-16(27-29-17)10-15-24-18(21)26-19(25-15)22-13-6-3-5-12(20)9-13/h2-9H,10H2,1H3,(H3,21,22,24,25,26)
InChIKeyYISWEUQUCQZENM-UHFFFAOYSA-N
MW409.84 g/mol
LogP3.50
Rot. Bonds6

About 2-N-(3-chlorophenyl)-6-[[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3,5-triazine-2,4-diamine

2-N-(3-chlorophenyl)-6-[[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 123487544) has the molecular formula C19H16ClN7O2 and a molecular weight of 409.84 g/mol. Its IUPAC name is 2-N-(3-chlorophenyl)-6-[[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chlorophenyl)-6-[[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID123487544
Molecular FormulaC19H16ClN7O2
Molecular Weight409.84 g/mol
Exact Mass409.11
IUPAC Name2-N-(3-chlorophenyl)-6-[[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1cccc(-c2nc(Cc3nc(N)nc(Nc4cccc(Cl)c4)n3)no2)c1
InChIInChI=1S/C19H16ClN7O2/c1-28-14-7-2-4-11(8-14)17-23-16(27-29-17)10-15-24-18(21)26-19(25-15)22-13-6-3-5-12(20)9-13/h2-9H,10H2,1H3,(H3,21,22,24,25,26)
InChIKeyYISWEUQUCQZENM-UHFFFAOYSA-N
XLogP3.50
TPSA124.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.84
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethyl]aniline
CID 1133778
6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80762521
3-[(3-chlorophenoxy)methyl]-5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazole
CID 42692356
2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115079231
6-[(3-methoxyphenyl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 35041524
6-[(4-benzylpiperazin-1-yl)methyl]-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3162730
N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3,5-dimethoxybenzamide
CID 53049034
3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 102175113
N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,4-dimethoxybenzamide
CID 53049042
2-N-(3-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80761343
3-[(4-methoxyphenyl)methyl]-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 4691489
[3-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 60893719

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chlorophenyl)-6-[[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-chlorophenyl)-6-[[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3,5-triazine-2,4-diamine (CID 123487544) is 2-N-(3-chlorophenyl)-6-[[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-chlorophenyl)-6-[[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-chlorophenyl)-6-[[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3,5-triazine-2,4-diamine is COc1cccc(-c2nc(Cc3nc(N)nc(Nc4cccc(Cl)c4)n3)no2)c1.
What is the InChIKey of 2-N-(3-chlorophenyl)-6-[[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is YISWEUQUCQZENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN7O2/c1-28-14-7-2-4-11(8-14)17-23-16(27-29-17)10-15-24-18(21)26-19(25-15)22-13-6-3-5-12(20)9-13/h2-9H,10H2,1H3,(H3,21,22,24,25,26).
What are the key properties of 2-N-(3-chlorophenyl)-6-[[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3,5-triazine-2,4-diamine?
2-N-(3-chlorophenyl)-6-[[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 409.84 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chlorophenyl)-6-[[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 123487544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).