3-[4-(3-aminophenoxy)phenyl]-5-methoxy-1,3,4-oxadiazol-2-one

C15H13N3O4 — CID 10149535

IUPAC3-[4-(3-aminophenoxy)phenyl]-5-methoxy-1,3,4-oxadiazol-2-one
SMILESCOc1nn(-c2ccc(Oc3cccc(N)c3)cc2)c(=O)o1
InChIInChI=1S/C15H13N3O4/c1-20-14-17-18(15(19)22-14)11-5-7-12(8-6-11)21-13-4-2-3-10(16)9-13/h2-9H,16H2,1H3
InChIKeyAKTFIWLRUXKEBM-UHFFFAOYSA-N
MW299.29 g/mol
LogP2.21
Rot. Bonds4

About 3-[4-(3-aminophenoxy)phenyl]-5-methoxy-1,3,4-oxadiazol-2-one

3-[4-(3-aminophenoxy)phenyl]-5-methoxy-1,3,4-oxadiazol-2-one (PubChem CID 10149535) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 3-[4-(3-aminophenoxy)phenyl]-5-methoxy-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[4-(3-aminophenoxy)phenyl]-5-methoxy-1,3,4-oxadiazol-2-one
PubChem CID10149535
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name3-[4-(3-aminophenoxy)phenyl]-5-methoxy-1,3,4-oxadiazol-2-one
SMILESCOc1nn(-c2ccc(Oc3cccc(N)c3)cc2)c(=O)o1
InChIInChI=1S/C15H13N3O4/c1-20-14-17-18(15(19)22-14)11-5-7-12(8-6-11)21-13-4-2-3-10(16)9-13/h2-9H,16H2,1H3
InChIKeyAKTFIWLRUXKEBM-UHFFFAOYSA-N
XLogP2.21
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromophenyl)-5-phenoxy-1,3,4-oxadiazol-2-one
CID 15077831
3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338635
3-[4-(4-aminophenoxy)phenoxy]aniline
CID 22184043
5-methoxy-3-[1-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one
CID 72714182
5-methoxy-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 150045100
3-(3-phenoxyphenoxy)aniline
CID 68727404
3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
CID 19698881
[4-(3-aminophenoxy)phenyl]-[3,5-bis[4-(3-aminophenoxy)benzoyl]phenyl]methanone
CID 102447265
3-[4-[5-[4-[3-(methylamino)phenoxy]phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]aniline
CID 123635103
3-(4-isocyanatophenoxy)aniline
CID 169296834
[4-[5-(2,4-difluorophenoxy)-2-oxo-1,3,4-oxadiazol-3-yl]phenyl] acetate
CID 157215637
3-methoxyaniline;sulfane
CID 174447811

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-aminophenoxy)phenyl]-5-methoxy-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[4-(3-aminophenoxy)phenyl]-5-methoxy-1,3,4-oxadiazol-2-one (CID 10149535) is 3-[4-(3-aminophenoxy)phenyl]-5-methoxy-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[4-(3-aminophenoxy)phenyl]-5-methoxy-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[4-(3-aminophenoxy)phenyl]-5-methoxy-1,3,4-oxadiazol-2-one is COc1nn(-c2ccc(Oc3cccc(N)c3)cc2)c(=O)o1.
What is the InChIKey of 3-[4-(3-aminophenoxy)phenyl]-5-methoxy-1,3,4-oxadiazol-2-one?
The InChIKey is AKTFIWLRUXKEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-20-14-17-18(15(19)22-14)11-5-7-12(8-6-11)21-13-4-2-3-10(16)9-13/h2-9H,16H2,1H3.
What are the key properties of 3-[4-(3-aminophenoxy)phenyl]-5-methoxy-1,3,4-oxadiazol-2-one?
3-[4-(3-aminophenoxy)phenyl]-5-methoxy-1,3,4-oxadiazol-2-one has a molecular weight of 299.29 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-aminophenoxy)phenyl]-5-methoxy-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 10149535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).