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

C8H6N2O3 — CID 135624284

IUPAC5-(2-hydroxyphenyl)-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2ccccc2O)o1
InChIInChI=1S/C8H6N2O3/c11-6-4-2-1-3-5(6)7-9-10-8(12)13-7/h1-4,11H,(H,10,12)
InChIKeyGZEMTQWHVDJDBT-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.74
Rot. Bonds1

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

5-(2-hydroxyphenyl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 135624284) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 5-(2-hydroxyphenyl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(2-hydroxyphenyl)-3H-1,3,4-oxadiazol-2-one
PubChem CID135624284
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name5-(2-hydroxyphenyl)-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2ccccc2O)o1
InChIInChI=1S/C8H6N2O3/c11-6-4-2-1-3-5(6)7-9-10-8(12)13-7/h1-4,11H,(H,10,12)
InChIKeyGZEMTQWHVDJDBT-UHFFFAOYSA-N
XLogP0.74
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-fluorophenyl)-3H-1,3,4-oxadiazol-2-one
CID 24902248
2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzenesulfonamide
CID 117064042
5-(3-chloro-2-methylphenyl)-3H-1,3,4-oxadiazol-2-one
CID 107100331
3-(2-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135818619
5-(6-chloro-2-methyl-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one
CID 59526324
2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one
CID 135685723
5-(3-bromophenyl)-3H-1,3,4-oxadiazol-2-one
CID 24874409
5-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-1,3,4-oxadiazol-2-one
CID 141184022
5-(3-ethyl-6-methylpyridazin-4-yl)-3H-1,3,4-oxadiazol-2-one
CID 104672911
N-[2-[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]ethyl]-2H-1,2,4-benzothiadiazine-3-carboxamide
CID 142535768
4-(2-hydroxyphenyl)-5-methyl-3H-1,3-oxazol-2-one
CID 105444696
5-[4-(benzylamino)phenyl]-3H-1,3,4-oxadiazol-2-one
CID 102035420

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyphenyl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(2-hydroxyphenyl)-3H-1,3,4-oxadiazol-2-one (CID 135624284) is 5-(2-hydroxyphenyl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(2-hydroxyphenyl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(2-hydroxyphenyl)-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(-c2ccccc2O)o1.
What is the InChIKey of 5-(2-hydroxyphenyl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is GZEMTQWHVDJDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c11-6-4-2-1-3-5(6)7-9-10-8(12)13-7/h1-4,11H,(H,10,12).
What are the key properties of 5-(2-hydroxyphenyl)-3H-1,3,4-oxadiazol-2-one?
5-(2-hydroxyphenyl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 178.15 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyphenyl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 135624284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).