4-(5-amino-1,3,4-oxadiazol-2-yl)-2-ethoxyphenol

C10H11N3O3 — CID 137204559

IUPAC4-(5-amino-1,3,4-oxadiazol-2-yl)-2-ethoxyphenol
SMILESCCOc1cc(-c2nnc(N)o2)ccc1O
InChIInChI=1S/C10H11N3O3/c1-2-15-8-5-6(3-4-7(8)14)9-12-13-10(11)16-9/h3-5,14H,2H2,1H3,(H2,11,13)
InChIKeyANVLHACUENRYHI-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.42
Rot. Bonds3

About 4-(5-amino-1,3,4-oxadiazol-2-yl)-2-ethoxyphenol

4-(5-amino-1,3,4-oxadiazol-2-yl)-2-ethoxyphenol (PubChem CID 137204559) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 4-(5-amino-1,3,4-oxadiazol-2-yl)-2-ethoxyphenol.

Molecular Properties

Compound Name4-(5-amino-1,3,4-oxadiazol-2-yl)-2-ethoxyphenol
PubChem CID137204559
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name4-(5-amino-1,3,4-oxadiazol-2-yl)-2-ethoxyphenol
SMILESCCOc1cc(-c2nnc(N)o2)ccc1O
InChIInChI=1S/C10H11N3O3/c1-2-15-8-5-6(3-4-7(8)14)9-12-13-10(11)16-9/h3-5,14H,2H2,1H3,(H2,11,13)
InChIKeyANVLHACUENRYHI-UHFFFAOYSA-N
XLogP1.42
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-ethoxyphenol
CID 12856010
2-(3,4-diethoxyphenyl)-5-methyl-1,3,4-oxadiazole
CID 71563513
5-(2,4-diethoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 15129059
4-(4-amino-6-methylpyrimidin-2-yl)-2-ethoxyphenol
CID 135978640
5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91681821
5-[3-ethoxy-5-iodo-4-[(2-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91682125
5-(4-ethylphenyl)-1,3,4-oxadiazol-2-amine
CID 18073044
2,4-diamino-6-(3-ethoxy-4-hydroxyphenyl)pyrimidine-5-carbonitrile
CID 169396033
5-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine
CID 91681619
5-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine
CID 91682846
4-(4-amino-6-tert-butylpyrimidin-2-yl)-2-ethoxyphenol
CID 135978681
2-(3-bromo-4-methoxyphenyl)-5-(3,4-diethoxyphenyl)-1,3,4-oxadiazole
CID 166198597

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1,3,4-oxadiazol-2-yl)-2-ethoxyphenol?
The IUPAC name of 4-(5-amino-1,3,4-oxadiazol-2-yl)-2-ethoxyphenol (CID 137204559) is 4-(5-amino-1,3,4-oxadiazol-2-yl)-2-ethoxyphenol.
What is the SMILES notation for 4-(5-amino-1,3,4-oxadiazol-2-yl)-2-ethoxyphenol?
The canonical SMILES for 4-(5-amino-1,3,4-oxadiazol-2-yl)-2-ethoxyphenol is CCOc1cc(-c2nnc(N)o2)ccc1O.
What is the InChIKey of 4-(5-amino-1,3,4-oxadiazol-2-yl)-2-ethoxyphenol?
The InChIKey is ANVLHACUENRYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-2-15-8-5-6(3-4-7(8)14)9-12-13-10(11)16-9/h3-5,14H,2H2,1H3,(H2,11,13).
What are the key properties of 4-(5-amino-1,3,4-oxadiazol-2-yl)-2-ethoxyphenol?
4-(5-amino-1,3,4-oxadiazol-2-yl)-2-ethoxyphenol has a molecular weight of 221.22 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1,3,4-oxadiazol-2-yl)-2-ethoxyphenol is sourced from PubChem (CID 137204559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).