ethane;2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoic acid;5-methyl-2-pyridin-2-ylbenzoic acid

C25H25N3O5 — CID 145383263

IUPACethane;2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoic acid;5-methyl-2-pyridin-2-ylbenzoic acid
SMILESCC.Cc1ccc(-c2ccccn2)c(C(=O)O)c1.Cc1nnc(-c2ccccc2C(=O)O)o1
InChIInChI=1S/C13H11NO2.C10H8N2O3.C2H6/c1-9-5-6-10(11(8-9)13(15)16)12-4-2-3-7-14-12;1-6-11-12-9(15-6)7-4-2-3-5-8(7)10(13)14;1-2/h2-8H,1H3,(H,15,16);2-5H,1H3,(H,13,14);1-2H3
InChIKeyIOZVJRZPFCVVBX-UHFFFAOYSA-N
MW447.49 g/mol
LogP5.52
Rot. Bonds4

About ethane;2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoic acid;5-methyl-2-pyridin-2-ylbenzoic acid

ethane;2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoic acid;5-methyl-2-pyridin-2-ylbenzoic acid (PubChem CID 145383263) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is ethane;2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoic acid;5-methyl-2-pyridin-2-ylbenzoic acid.

Molecular Properties

Compound Nameethane;2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoic acid;5-methyl-2-pyridin-2-ylbenzoic acid
PubChem CID145383263
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Nameethane;2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoic acid;5-methyl-2-pyridin-2-ylbenzoic acid
SMILESCC.Cc1ccc(-c2ccccn2)c(C(=O)O)c1.Cc1nnc(-c2ccccc2C(=O)O)o1
InChIInChI=1S/C13H11NO2.C10H8N2O3.C2H6/c1-9-5-6-10(11(8-9)13(15)16)12-4-2-3-7-14-12;1-6-11-12-9(15-6)7-4-2-3-5-8(7)10(13)14;1-2/h2-8H,1H3,(H,15,16);2-5H,1H3,(H,13,14);1-2H3
InChIKeyIOZVJRZPFCVVBX-UHFFFAOYSA-N
XLogP5.52
TPSA126.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.49
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethane;2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoic acid;5-methyl-2-pyridin-2-ylbenzoic acid with MolForge

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Launch Full Analysis

Related Compounds

5-methyl-N-phenyl-2-pyridin-2-ylbenzamide
CID 102459618
2-(2,4-dimethylphenyl)pyridine;ethane
CID 143636710
2-pyridin-2-ylbenzoic acid;2,2,2-trifluoroacetic acid
CID 175747170
2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 15376151
5-methyl-2-pyrazin-2-ylbenzoic acid
CID 81111608
2,3-dimethyl-4-pyridin-2-ylbenzoic acid
CID 175747160
2-(2-pyridin-2-yl-3-pyridinyl)benzoic acid
CID 141463782
2-(5-bromo-1,3,4-oxadiazol-2-yl)benzoic acid
CID 83681456
2-(4-methyl-2-phenylphenyl)pyridine
CID 20606677
4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxylic acid
CID 139512630
2-methyl-5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazole
CID 131089626
2-(2-methylphenyl)-5-pyridin-2-yl-1,3,4-oxadiazole
CID 15957151

Frequently Asked Questions

What is the IUPAC name of ethane;2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoic acid;5-methyl-2-pyridin-2-ylbenzoic acid?
The IUPAC name of ethane;2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoic acid;5-methyl-2-pyridin-2-ylbenzoic acid (CID 145383263) is ethane;2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoic acid;5-methyl-2-pyridin-2-ylbenzoic acid.
What is the SMILES notation for ethane;2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoic acid;5-methyl-2-pyridin-2-ylbenzoic acid?
The canonical SMILES for ethane;2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoic acid;5-methyl-2-pyridin-2-ylbenzoic acid is CC.Cc1ccc(-c2ccccn2)c(C(=O)O)c1.Cc1nnc(-c2ccccc2C(=O)O)o1.
What is the InChIKey of ethane;2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoic acid;5-methyl-2-pyridin-2-ylbenzoic acid?
The InChIKey is IOZVJRZPFCVVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2.C10H8N2O3.C2H6/c1-9-5-6-10(11(8-9)13(15)16)12-4-2-3-7-14-12;1-6-11-12-9(15-6)7-4-2-3-5-8(7)10(13)14;1-2/h2-8H,1H3,(H,15,16);2-5H,1H3,(H,13,14);1-2H3.
What are the key properties of ethane;2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoic acid;5-methyl-2-pyridin-2-ylbenzoic acid?
ethane;2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoic acid;5-methyl-2-pyridin-2-ylbenzoic acid has a molecular weight of 447.49 g/mol, XLogP of 5.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoic acid;5-methyl-2-pyridin-2-ylbenzoic acid is sourced from PubChem (CID 145383263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).