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

C20H18N4O2 — CID 44526873

IUPACN-[(2-methylphenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine
SMILESCc1ccccc1CNc1noc(-c2c(-c3ccccc3)noc2C)n1
InChIInChI=1S/C20H18N4O2/c1-13-8-6-7-11-16(13)12-21-20-22-19(26-24-20)17-14(2)25-23-18(17)15-9-4-3-5-10-15/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyUIWFOLYLIJVXJA-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.62
Rot. Bonds5

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

N-[(2-methylphenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine (PubChem CID 44526873) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine
PubChem CID44526873
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-[(2-methylphenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine
SMILESCc1ccccc1CNc1noc(-c2c(-c3ccccc3)noc2C)n1
InChIInChI=1S/C20H18N4O2/c1-13-8-6-7-11-16(13)12-21-20-22-19(26-24-20)17-14(2)25-23-18(17)15-9-4-3-5-10-15/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyUIWFOLYLIJVXJA-UHFFFAOYSA-N
XLogP4.62
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of N-[(2-methylphenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine (CID 44526873) is N-[(2-methylphenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N-[(2-methylphenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine is Cc1ccccc1CNc1noc(-c2c(-c3ccccc3)noc2C)n1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine?
The InChIKey is UIWFOLYLIJVXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-8-6-7-11-16(13)12-21-20-22-19(26-24-20)17-14(2)25-23-18(17)15-9-4-3-5-10-15/h3-11H,12H2,1-2H3,(H,21,24).
What are the key properties of N-[(2-methylphenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine?
N-[(2-methylphenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine has a molecular weight of 346.39 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 44526873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).