5-(4-amino-3-phenylmethoxyphenyl)-3H-1,3,4-oxadiazol-2-one

C15H13N3O3 — CID 167126250

IUPAC5-(4-amino-3-phenylmethoxyphenyl)-3H-1,3,4-oxadiazol-2-one
SMILESNc1ccc(-c2n[nH]c(=O)o2)cc1OCc1ccccc1
InChIInChI=1S/C15H13N3O3/c16-12-7-6-11(14-17-18-15(19)21-14)8-13(12)20-9-10-4-2-1-3-5-10/h1-8H,9,16H2,(H,18,19)
InChIKeyMYVZDBZORDYKSB-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.19
Rot. Bonds4

About 5-(4-amino-3-phenylmethoxyphenyl)-3H-1,3,4-oxadiazol-2-one

5-(4-amino-3-phenylmethoxyphenyl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 167126250) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 5-(4-amino-3-phenylmethoxyphenyl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(4-amino-3-phenylmethoxyphenyl)-3H-1,3,4-oxadiazol-2-one
PubChem CID167126250
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name5-(4-amino-3-phenylmethoxyphenyl)-3H-1,3,4-oxadiazol-2-one
SMILESNc1ccc(-c2n[nH]c(=O)o2)cc1OCc1ccccc1
InChIInChI=1S/C15H13N3O3/c16-12-7-6-11(14-17-18-15(19)21-14)8-13(12)20-9-10-4-2-1-3-5-10/h1-8H,9,16H2,(H,18,19)
InChIKeyMYVZDBZORDYKSB-UHFFFAOYSA-N
XLogP2.19
TPSA94.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-nitro-3-phenylmethoxyphenyl)-3H-1,3,4-oxadiazol-2-one
CID 172698949
4-(2-fluorophenyl)-2-phenylmethoxyaniline
CID 171921752
5-(3-ethylphenyl)-3H-1,3,4-oxadiazol-2-one
CID 146425078
4-iodo-2-phenylmethoxyaniline
CID 66756754
2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171921767
ethyl 4-amino-3-phenylmethoxybenzoate
CID 79021529
4-[1-(cyclohexylmethyl)pyrazol-4-yl]-2-phenylmethoxyaniline
CID 171921778
ethyl 5-(4-methyl-3-phenylmethoxyphenyl)-2H-triazole-4-carboxylate
CID 169399374
(3-aminophenyl)-(4-amino-3-phenylmethoxyphenyl)methanone
CID 175194329
5-(4-phenylmethoxyphenyl)-1H-pyrazol-3-amine
CID 3707491
5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402081
3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3696985

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-3-phenylmethoxyphenyl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(4-amino-3-phenylmethoxyphenyl)-3H-1,3,4-oxadiazol-2-one (CID 167126250) is 5-(4-amino-3-phenylmethoxyphenyl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(4-amino-3-phenylmethoxyphenyl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(4-amino-3-phenylmethoxyphenyl)-3H-1,3,4-oxadiazol-2-one is Nc1ccc(-c2n[nH]c(=O)o2)cc1OCc1ccccc1.
What is the InChIKey of 5-(4-amino-3-phenylmethoxyphenyl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is MYVZDBZORDYKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c16-12-7-6-11(14-17-18-15(19)21-14)8-13(12)20-9-10-4-2-1-3-5-10/h1-8H,9,16H2,(H,18,19).
What are the key properties of 5-(4-amino-3-phenylmethoxyphenyl)-3H-1,3,4-oxadiazol-2-one?
5-(4-amino-3-phenylmethoxyphenyl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 283.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-3-phenylmethoxyphenyl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 167126250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).