5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine

C17H17N3O3 — CID 91681821

IUPAC5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1cc(-c2nnc(N)o2)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C17H17N3O3/c1-11-3-5-12(6-4-11)10-22-14-8-7-13(9-15(14)21-2)16-19-20-17(18)23-16/h3-9H,10H2,1-2H3,(H2,18,20)
InChIKeyUDJIDQRMXMBLPY-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.21
Rot. Bonds5

About 5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine

5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 91681821) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID91681821
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1cc(-c2nnc(N)o2)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C17H17N3O3/c1-11-3-5-12(6-4-11)10-22-14-8-7-13(9-15(14)21-2)16-19-20-17(18)23-16/h3-9H,10H2,1-2H3,(H2,18,20)
InChIKeyUDJIDQRMXMBLPY-UHFFFAOYSA-N
XLogP3.21
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine (CID 91681821) is 5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine is COc1cc(-c2nnc(N)o2)ccc1OCc1ccc(C)cc1.
What is the InChIKey of 5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is UDJIDQRMXMBLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-11-3-5-12(6-4-11)10-22-14-8-7-13(9-15(14)21-2)16-19-20-17(18)23-16/h3-9H,10H2,1-2H3,(H2,18,20).
What are the key properties of 5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine?
5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 311.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 91681821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).