4-hydroxy-5-methyl-3-phenyl-5H-1,2,4-oxadiazole

C9H10N2O2 — CID 601343

IUPAC4-hydroxy-5-methyl-3-phenyl-5H-1,2,4-oxadiazole
SMILESCC1ON=C(c2ccccc2)N1O
InChIInChI=1S/C9H10N2O2/c1-7-11(12)9(10-13-7)8-5-3-2-4-6-8/h2-7,12H,1H3
InChIKeyFBAULXHLBKKEDH-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.42
Rot. Bonds1

About 4-hydroxy-5-methyl-3-phenyl-5H-1,2,4-oxadiazole

4-hydroxy-5-methyl-3-phenyl-5H-1,2,4-oxadiazole (PubChem CID 601343) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-3-phenyl-5H-1,2,4-oxadiazole.

Molecular Properties

Compound Name4-hydroxy-5-methyl-3-phenyl-5H-1,2,4-oxadiazole
PubChem CID601343
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name4-hydroxy-5-methyl-3-phenyl-5H-1,2,4-oxadiazole
SMILESCC1ON=C(c2ccccc2)N1O
InChIInChI=1S/C9H10N2O2/c1-7-11(12)9(10-13-7)8-5-3-2-4-6-8/h2-7,12H,1H3
InChIKeyFBAULXHLBKKEDH-UHFFFAOYSA-N
XLogP1.42
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Imolamine
CID 27501
N'-hydroxy-N,N-dimethylbenzenecarboximidamide
CID 5969721
1,2,4-Oxadiazole-4(5H)-ethanamine, N,N-diethyl-5-imino-3-phenyl-, hydrochloride (1:1)
CID 23619293
(Hydroxyimino)phenyl(4,5,5-trimethyl(1,2,4-oxadiazolin-3-yl))methane
CID 136188028
(NZ)-N-[phenyl(pyrrolidin-1-yl)methylidene]hydroxylamine
CID 22214530
N-hydroxy-N-propan-2-ylbenzenecarboximidamide;hydrochloride
CID 361544
(NE)-N-[phenyl(piperidin-1-yl)methylidene]hydroxylamine
CID 5367900
1,2,4-Oxadiazole, 4,5-dihydro-5-imino-4-methyl-3-phenyl-
CID 171384418
1,2,4-Oxadiazole, 4,5-dihydro-4-methyl-5-methylimino-3-phenyl-
CID 171384476
5-Isopropyl-3-phenyl-4,5-dihydro-1,2,4-oxadiazole
CID 10845363
N-hydroxybenzamidine ethyl ester
CID 129689195
N-hydroxy-N-isopropyl-benzamidine
CID 361545

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-3-phenyl-5H-1,2,4-oxadiazole?
The IUPAC name of 4-hydroxy-5-methyl-3-phenyl-5H-1,2,4-oxadiazole (CID 601343) is 4-hydroxy-5-methyl-3-phenyl-5H-1,2,4-oxadiazole.
What is the SMILES notation for 4-hydroxy-5-methyl-3-phenyl-5H-1,2,4-oxadiazole?
The canonical SMILES for 4-hydroxy-5-methyl-3-phenyl-5H-1,2,4-oxadiazole is CC1ON=C(c2ccccc2)N1O.
What is the InChIKey of 4-hydroxy-5-methyl-3-phenyl-5H-1,2,4-oxadiazole?
The InChIKey is FBAULXHLBKKEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-7-11(12)9(10-13-7)8-5-3-2-4-6-8/h2-7,12H,1H3.
What are the key properties of 4-hydroxy-5-methyl-3-phenyl-5H-1,2,4-oxadiazole?
4-hydroxy-5-methyl-3-phenyl-5H-1,2,4-oxadiazole has a molecular weight of 178.19 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-3-phenyl-5H-1,2,4-oxadiazole is sourced from PubChem (CID 601343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).