5-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]-3H-1,3,4-oxadiazol-2-one

C20H22N2O4 — CID 155575423

IUPAC5-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]-3H-1,3,4-oxadiazol-2-one
SMILESCCCCCc1cc(O)c(-c2cccc(C)c2)c(O)c1-c1n[nH]c(=O)o1
InChIInChI=1S/C20H22N2O4/c1-3-4-5-8-14-11-15(23)16(13-9-6-7-12(2)10-13)18(24)17(14)19-21-22-20(25)26-19/h6-7,9-11,23-24H,3-5,8H2,1-2H3,(H,22,25)
InChIKeyGCZMDMSSHQGCRG-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.15
Rot. Bonds6

About 5-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]-3H-1,3,4-oxadiazol-2-one

5-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 155575423) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID155575423
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name5-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]-3H-1,3,4-oxadiazol-2-one
SMILESCCCCCc1cc(O)c(-c2cccc(C)c2)c(O)c1-c1n[nH]c(=O)o1
InChIInChI=1S/C20H22N2O4/c1-3-4-5-8-14-11-15(23)16(13-9-6-7-12(2)10-13)18(24)17(14)19-21-22-20(25)26-19/h6-7,9-11,23-24H,3-5,8H2,1-2H3,(H,22,25)
InChIKeyGCZMDMSSHQGCRG-UHFFFAOYSA-N
XLogP4.15
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]-3H-1,3,4-oxadiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-hydroxy-2-methyl-8-(3-methylphenyl)-2-(2-oxopropyl)-5-pentyl-1,3-benzodioxin-4-one
CID 155459157
N-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]sulfonyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 155576089
2,4-dihydroxy-3-(3-methylphenyl)-6-pentyl-N-propan-2-ylbenzenesulfonamide
CID 155576064
N-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]sulfonylacetamide
CID 155576051
1-[2-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]sulfonylethyl]pyrrolidine-2,5-dione
CID 165175752
4-(2-chloropyrimidin-5-yl)sulfonyl-2-(3-methylphenyl)-5-pentylbenzene-1,3-diol
CID 155576169
7-hydroxy-8-(3-methylphenyl)-2-(4-methylphenyl)-2-(2-oxopropyl)-5-pentyl-1,3-benzodioxin-4-one
CID 155459084
(1-methylcyclopropyl) N-[[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]methyl]carbamate
CID 166514097
6-(3-methylphenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pentylphenol
CID 155575315
N-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]sulfonyl-2-(furan-2-yl)acetamide
CID 155576199
5-hexyl-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 114752939
N-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]sulfonyl-3-(4-methylpiperazin-1-yl)propanamide
CID 155576188

Frequently Asked Questions

What is the IUPAC name of 5-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]-3H-1,3,4-oxadiazol-2-one (CID 155575423) is 5-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]-3H-1,3,4-oxadiazol-2-one is CCCCCc1cc(O)c(-c2cccc(C)c2)c(O)c1-c1n[nH]c(=O)o1.
What is the InChIKey of 5-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is GCZMDMSSHQGCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-4-5-8-14-11-15(23)16(13-9-6-7-12(2)10-13)18(24)17(14)19-21-22-20(25)26-19/h6-7,9-11,23-24H,3-5,8H2,1-2H3,(H,22,25).
What are the key properties of 5-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]-3H-1,3,4-oxadiazol-2-one?
5-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 354.41 g/mol, XLogP of 4.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 155575423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).