2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-1,3,4-oxadiazole

C24H27N5O3 — CID 68787912

IUPAC2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-1,3,4-oxadiazole
SMILESCOc1cc(C)c(Cc2nnc(-c3ccc(-n4cnc(C)c4)c(OC)n3)o2)cc1C(C)C
InChIInChI=1S/C24H27N5O3/c1-14(2)18-10-17(15(3)9-21(18)30-5)11-22-27-28-23(32-22)19-7-8-20(24(26-19)31-6)29-12-16(4)25-13-29/h7-10,12-14H,11H2,1-6H3
InChIKeyLSSCLFMYNNANMX-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.67
Rot. Bonds7

About 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-1,3,4-oxadiazole

2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-1,3,4-oxadiazole (PubChem CID 68787912) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-1,3,4-oxadiazole
PubChem CID68787912
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-1,3,4-oxadiazole
SMILESCOc1cc(C)c(Cc2nnc(-c3ccc(-n4cnc(C)c4)c(OC)n3)o2)cc1C(C)C
InChIInChI=1S/C24H27N5O3/c1-14(2)18-10-17(15(3)9-21(18)30-5)11-22-27-28-23(32-22)19-7-8-20(24(26-19)31-6)29-12-16(4)25-13-29/h7-10,12-14H,11H2,1-6H3
InChIKeyLSSCLFMYNNANMX-UHFFFAOYSA-N
XLogP4.67
TPSA88.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-1,3,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

N'-[1-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)acetohydrazide
CID 70227413
3-[(2R)-2,3-dimethylbutyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;2-methylpropane
CID 162065678
6-[5-[(2,5-dimethylphenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-methoxy-3-(4-methylimidazol-1-yl)pyridine
CID 91136433
6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(4-methylphenyl)propyl]pyridazine
CID 158624653
6-(3,5-difluorophenyl)-2-methoxy-3-(4-methylimidazol-1-yl)pyridine
CID 171682304
N-[(2R)-butan-2-yl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine
CID 134391564
6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2S)-4,4,4-trifluoro-2-(4-methylphenyl)butyl]pyridazine
CID 159339530
6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyridazin-3-amine
CID 175029624
N-[1-(4-fluorophenyl)-2-methoxyethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine
CID 140855855
4-ethyl-N-[1-(4-fluorophenyl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-amine
CID 121305905
N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910535
N-cyclohexyl-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine
CID 134391643

Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-1,3,4-oxadiazole (CID 68787912) is 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-1,3,4-oxadiazole is COc1cc(C)c(Cc2nnc(-c3ccc(-n4cnc(C)c4)c(OC)n3)o2)cc1C(C)C.
What is the InChIKey of 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-1,3,4-oxadiazole?
The InChIKey is LSSCLFMYNNANMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-14(2)18-10-17(15(3)9-21(18)30-5)11-22-27-28-23(32-22)19-7-8-20(24(26-19)31-6)29-12-16(4)25-13-29/h7-10,12-14H,11H2,1-6H3.
What are the key properties of 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-1,3,4-oxadiazole?
2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-1,3,4-oxadiazole has a molecular weight of 433.51 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 68787912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).