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

C17H17N3O2 — CID 122395303

IUPACN-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(-c2nnc(Nc3ccc(C)cc3C)o2)cc1
InChIInChI=1S/C17H17N3O2/c1-11-4-9-15(12(2)10-11)18-17-20-19-16(22-17)13-5-7-14(21-3)8-6-13/h4-10H,1-3H3,(H,18,20)
InChIKeyHPAYOJZKVJEHFX-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.11
Rot. Bonds4

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

N-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 122395303) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID122395303
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(-c2nnc(Nc3ccc(C)cc3C)o2)cc1
InChIInChI=1S/C17H17N3O2/c1-11-4-9-15(12(2)10-11)18-17-20-19-16(22-17)13-5-7-14(21-3)8-6-13/h4-10H,1-3H3,(H,18,20)
InChIKeyHPAYOJZKVJEHFX-UHFFFAOYSA-N
XLogP4.11
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 155811575
5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 155807608
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dimethylaniline
CID 110652977
2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 638609
N-[4-[5-(2,4-dimethylanilino)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide
CID 10500298
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 71521216
2-(4-methylphenyl)-5-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole
CID 20603457
5-(1-chloroethyl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 106956414
3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]-5-methylindol-2-one
CID 135505662
2-[(2,5-dimethylphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 2579360
1-amino-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 71521325
5-(4-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 7110023

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine (CID 122395303) is N-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine is COc1ccc(-c2nnc(Nc3ccc(C)cc3C)o2)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is HPAYOJZKVJEHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11-4-9-15(12(2)10-11)18-17-20-19-16(22-17)13-5-7-14(21-3)8-6-13/h4-10H,1-3H3,(H,18,20).
What are the key properties of N-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
N-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 295.34 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 122395303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).