2-[2,3-diethyl-6-(2-methoxy-4-pyridinyl)-5-methylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid

C24H26N4O5 — CID 168951163

IUPAC2-[2,3-diethyl-6-(2-methoxy-4-pyridinyl)-5-methylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid
SMILESCCc1cc(C)c(-c2ccnc(OC)c2)c(NC2=NCC(C(=O)O)(c3ccon3)O2)c1CC
InChIInChI=1S/C24H26N4O5/c1-5-15-11-14(3)20(16-7-9-25-19(12-16)31-4)21(17(15)6-2)27-23-26-13-24(33-23,22(29)30)18-8-10-32-28-18/h7-12H,5-6,13H2,1-4H3,(H,26,27)(H,29,30)
InChIKeyARQUPJPJZJEJDH-UHFFFAOYSA-N
MW450.50 g/mol
LogP3.96
Rot. Bonds7

About 2-[2,3-diethyl-6-(2-methoxy-4-pyridinyl)-5-methylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid

2-[2,3-diethyl-6-(2-methoxy-4-pyridinyl)-5-methylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid (PubChem CID 168951163) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is 2-[2,3-diethyl-6-(2-methoxy-4-pyridinyl)-5-methylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2,3-diethyl-6-(2-methoxy-4-pyridinyl)-5-methylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid
PubChem CID168951163
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC Name2-[2,3-diethyl-6-(2-methoxy-4-pyridinyl)-5-methylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid
SMILESCCc1cc(C)c(-c2ccnc(OC)c2)c(NC2=NCC(C(=O)O)(c3ccon3)O2)c1CC
InChIInChI=1S/C24H26N4O5/c1-5-15-11-14(3)20(16-7-9-25-19(12-16)31-4)21(17(15)6-2)27-23-26-13-24(33-23,22(29)30)18-8-10-32-28-18/h7-12H,5-6,13H2,1-4H3,(H,26,27)(H,29,30)
InChIKeyARQUPJPJZJEJDH-UHFFFAOYSA-N
XLogP3.96
TPSA119.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

2-[[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid
CID 168951209
ethyl (5S)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate
CID 177094829
N-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]acetamide;molecular hydrogen;propane
CID 153403954
1-(benzenesulfinyl)-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea
CID 153403935
2-[4-(4,4-dimethylpiperidin-1-yl)-5-(2-methoxy-4-pyridinyl)-2-methyl-3-pyridinyl]acetic acid
CID 135216314
2-hydroxy-1-[2-(2-methoxy-4-pyridinyl)-1,3-benzothiazol-6-yl]ethanone
CID 153243627
3-(2-methoxy-4-pyridinyl)bicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
CID 165370393
[7-(2-methoxy-4-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175253017
4-(2,6-dichlorophenyl)-2-methoxypyridine
CID 118852441
1-[[(2-methoxy-4-pyridinyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446789
N-[[5-(2-methoxy-4-pyridinyl)furan-2-yl]methyl]ethanamine
CID 106887863
(2S,3R)-3-[2-[2-[[ethyl(propan-2-yl)amino]methyl]-4-(2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-3-hydroxy-2-methylpropanoic acid
CID 118899556

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-diethyl-6-(2-methoxy-4-pyridinyl)-5-methylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-[2,3-diethyl-6-(2-methoxy-4-pyridinyl)-5-methylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid (CID 168951163) is 2-[2,3-diethyl-6-(2-methoxy-4-pyridinyl)-5-methylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-[2,3-diethyl-6-(2-methoxy-4-pyridinyl)-5-methylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-[2,3-diethyl-6-(2-methoxy-4-pyridinyl)-5-methylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid is CCc1cc(C)c(-c2ccnc(OC)c2)c(NC2=NCC(C(=O)O)(c3ccon3)O2)c1CC.
What is the InChIKey of 2-[2,3-diethyl-6-(2-methoxy-4-pyridinyl)-5-methylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid?
The InChIKey is ARQUPJPJZJEJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-5-15-11-14(3)20(16-7-9-25-19(12-16)31-4)21(17(15)6-2)27-23-26-13-24(33-23,22(29)30)18-8-10-32-28-18/h7-12H,5-6,13H2,1-4H3,(H,26,27)(H,29,30).
What are the key properties of 2-[2,3-diethyl-6-(2-methoxy-4-pyridinyl)-5-methylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid?
2-[2,3-diethyl-6-(2-methoxy-4-pyridinyl)-5-methylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid has a molecular weight of 450.50 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-diethyl-6-(2-methoxy-4-pyridinyl)-5-methylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 168951163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).