4-[[5-(4-ethoxyphenyl)-1H-pyridazin-2-yl]methyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole

C23H24N4O2 — CID 146272990

IUPAC4-[[5-(4-ethoxyphenyl)-1H-pyridazin-2-yl]methyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole
SMILESCCOc1ccc(C2=CNN(Cc3c(-c4ccc(C)nc4)noc3C)C=C2)cc1
InChIInChI=1S/C23H24N4O2/c1-4-28-21-9-7-18(8-10-21)19-11-12-27(25-14-19)15-22-17(3)29-26-23(22)20-6-5-16(2)24-13-20/h5-14,25H,4,15H2,1-3H3
InChIKeyLLUQUAKVCXXLDF-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.63
Rot. Bonds6

About 4-[[5-(4-ethoxyphenyl)-1H-pyridazin-2-yl]methyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole

4-[[5-(4-ethoxyphenyl)-1H-pyridazin-2-yl]methyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole (PubChem CID 146272990) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-[[5-(4-ethoxyphenyl)-1H-pyridazin-2-yl]methyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole.

Molecular Properties

Compound Name4-[[5-(4-ethoxyphenyl)-1H-pyridazin-2-yl]methyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole
PubChem CID146272990
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name4-[[5-(4-ethoxyphenyl)-1H-pyridazin-2-yl]methyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole
SMILESCCOc1ccc(C2=CNN(Cc3c(-c4ccc(C)nc4)noc3C)C=C2)cc1
InChIInChI=1S/C23H24N4O2/c1-4-28-21-9-7-18(8-10-21)19-11-12-27(25-14-19)15-22-17(3)29-26-23(22)20-6-5-16(2)24-13-20/h5-14,25H,4,15H2,1-3H3
InChIKeyLLUQUAKVCXXLDF-UHFFFAOYSA-N
XLogP4.63
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[5-(4-ethoxyphenyl)-1H-pyridazin-2-yl]methyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole with MolForge

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Launch Full Analysis

Related Compounds

(7S)-2-[2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-1H-pyridazin-5-yl]-5-oxa-2-azaspiro[3.4]octan-7-ol
CID 146272989
4-(chloromethyl)-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole
CID 146272646
4-(methoxymethyl)-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole
CID 147938955
5-ethoxy-2-methylpyridine
CID 573198
4-[(6-chloro-5-methylpyridazin-3-yl)oxymethyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole
CID 134588395
ethyl 5-methyl-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate
CID 139529969
[5-methyl-3-(4-propoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 82371295
5-(6-methoxy-2-pyridinyl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one
CID 146272736
6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide
CID 134588619
6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 134604405
5-methyl-4-[[1-[(3R)-3-methyloxolan-3-yl]-2H-pyrazin-6-yl]oxymethyl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole
CID 151119586
4-(4-ethoxyphenyl)-5-methyl-1,2-oxazol-3-amine
CID 66199638

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-ethoxyphenyl)-1H-pyridazin-2-yl]methyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole?
The IUPAC name of 4-[[5-(4-ethoxyphenyl)-1H-pyridazin-2-yl]methyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole (CID 146272990) is 4-[[5-(4-ethoxyphenyl)-1H-pyridazin-2-yl]methyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole.
What is the SMILES notation for 4-[[5-(4-ethoxyphenyl)-1H-pyridazin-2-yl]methyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole?
The canonical SMILES for 4-[[5-(4-ethoxyphenyl)-1H-pyridazin-2-yl]methyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole is CCOc1ccc(C2=CNN(Cc3c(-c4ccc(C)nc4)noc3C)C=C2)cc1.
What is the InChIKey of 4-[[5-(4-ethoxyphenyl)-1H-pyridazin-2-yl]methyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole?
The InChIKey is LLUQUAKVCXXLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-4-28-21-9-7-18(8-10-21)19-11-12-27(25-14-19)15-22-17(3)29-26-23(22)20-6-5-16(2)24-13-20/h5-14,25H,4,15H2,1-3H3.
What are the key properties of 4-[[5-(4-ethoxyphenyl)-1H-pyridazin-2-yl]methyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole?
4-[[5-(4-ethoxyphenyl)-1H-pyridazin-2-yl]methyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole has a molecular weight of 388.47 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-ethoxyphenyl)-1H-pyridazin-2-yl]methyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole is sourced from PubChem (CID 146272990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).