2-[[5-(1H-imidazol-2-ylmethyl)-6-(1,2-oxazol-3-ylmethyl)-2-(pyridazin-3-ylmethyl)-3-(pyridin-2-ylmethyl)-2H-pyrazin-1-yl]methyl]-1,3-oxazole

C27H25N9O2 — CID 141212962

IUPAC2-[[5-(1H-imidazol-2-ylmethyl)-6-(1,2-oxazol-3-ylmethyl)-2-(pyridazin-3-ylmethyl)-3-(pyridin-2-ylmethyl)-2H-pyrazin-1-yl]methyl]-1,3-oxazole
SMILESc1ccc(CC2=NC(Cc3ncc[nH]3)=C(Cc3ccon3)N(Cc3ncco3)C2Cc2cccnn2)nc1
InChIInChI=1S/C27H25N9O2/c1-2-7-28-19(4-1)14-22-24(15-20-5-3-8-32-34-20)36(18-27-31-11-13-37-27)25(16-21-6-12-38-35-21)23(33-22)17-26-29-9-10-30-26/h1-13,24H,14-18H2,(H,29,30)
InChIKeyZJTLZAQOVIADCG-UHFFFAOYSA-N
MW507.56 g/mol
LogP3.38
Rot. Bonds10

About 2-[[5-(1H-imidazol-2-ylmethyl)-6-(1,2-oxazol-3-ylmethyl)-2-(pyridazin-3-ylmethyl)-3-(pyridin-2-ylmethyl)-2H-pyrazin-1-yl]methyl]-1,3-oxazole

2-[[5-(1H-imidazol-2-ylmethyl)-6-(1,2-oxazol-3-ylmethyl)-2-(pyridazin-3-ylmethyl)-3-(pyridin-2-ylmethyl)-2H-pyrazin-1-yl]methyl]-1,3-oxazole (PubChem CID 141212962) has the molecular formula C27H25N9O2 and a molecular weight of 507.56 g/mol. Its IUPAC name is 2-[[5-(1H-imidazol-2-ylmethyl)-6-(1,2-oxazol-3-ylmethyl)-2-(pyridazin-3-ylmethyl)-3-(pyridin-2-ylmethyl)-2H-pyrazin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[[5-(1H-imidazol-2-ylmethyl)-6-(1,2-oxazol-3-ylmethyl)-2-(pyridazin-3-ylmethyl)-3-(pyridin-2-ylmethyl)-2H-pyrazin-1-yl]methyl]-1,3-oxazole
PubChem CID141212962
Molecular FormulaC27H25N9O2
Molecular Weight507.56 g/mol
Exact Mass507.21
IUPAC Name2-[[5-(1H-imidazol-2-ylmethyl)-6-(1,2-oxazol-3-ylmethyl)-2-(pyridazin-3-ylmethyl)-3-(pyridin-2-ylmethyl)-2H-pyrazin-1-yl]methyl]-1,3-oxazole
SMILESc1ccc(CC2=NC(Cc3ncc[nH]3)=C(Cc3ccon3)N(Cc3ncco3)C2Cc2cccnn2)nc1
InChIInChI=1S/C27H25N9O2/c1-2-7-28-19(4-1)14-22-24(15-20-5-3-8-32-34-20)36(18-27-31-11-13-37-27)25(16-21-6-12-38-35-21)23(33-22)17-26-29-9-10-30-26/h1-13,24H,14-18H2,(H,29,30)
InChIKeyZJTLZAQOVIADCG-UHFFFAOYSA-N
XLogP3.38
TPSA135.01 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.56
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[[5-(1H-imidazol-2-ylmethyl)-6-(1,2-oxazol-3-ylmethyl)-2-(pyridazin-3-ylmethyl)-3-(pyridin-2-ylmethyl)-2H-pyrazin-1-yl]methyl]-1,3-oxazole with MolForge

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Related Compounds

N-[6-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-oxazol-2-amine
CID 16064300
N-[6-methyl-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-oxazol-2-amine
CID 69029511
3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]-3-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine
CID 141037710
2-[3-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-7-pyridazin-3-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-8-(1H-pyrrol-2-yl)-7H-1,8-naphthyridin-2-yl]-1,3-oxazole
CID 141195754
ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-3H-pyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole
CID 157159026
2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;1,3-dimethyl-5-propan-2-ylpyrazole;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole
CID 157854648
ethane;methane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole
CID 160857858

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1H-imidazol-2-ylmethyl)-6-(1,2-oxazol-3-ylmethyl)-2-(pyridazin-3-ylmethyl)-3-(pyridin-2-ylmethyl)-2H-pyrazin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-[[5-(1H-imidazol-2-ylmethyl)-6-(1,2-oxazol-3-ylmethyl)-2-(pyridazin-3-ylmethyl)-3-(pyridin-2-ylmethyl)-2H-pyrazin-1-yl]methyl]-1,3-oxazole (CID 141212962) is 2-[[5-(1H-imidazol-2-ylmethyl)-6-(1,2-oxazol-3-ylmethyl)-2-(pyridazin-3-ylmethyl)-3-(pyridin-2-ylmethyl)-2H-pyrazin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-[[5-(1H-imidazol-2-ylmethyl)-6-(1,2-oxazol-3-ylmethyl)-2-(pyridazin-3-ylmethyl)-3-(pyridin-2-ylmethyl)-2H-pyrazin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-[[5-(1H-imidazol-2-ylmethyl)-6-(1,2-oxazol-3-ylmethyl)-2-(pyridazin-3-ylmethyl)-3-(pyridin-2-ylmethyl)-2H-pyrazin-1-yl]methyl]-1,3-oxazole is c1ccc(CC2=NC(Cc3ncc[nH]3)=C(Cc3ccon3)N(Cc3ncco3)C2Cc2cccnn2)nc1.
What is the InChIKey of 2-[[5-(1H-imidazol-2-ylmethyl)-6-(1,2-oxazol-3-ylmethyl)-2-(pyridazin-3-ylmethyl)-3-(pyridin-2-ylmethyl)-2H-pyrazin-1-yl]methyl]-1,3-oxazole?
The InChIKey is ZJTLZAQOVIADCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N9O2/c1-2-7-28-19(4-1)14-22-24(15-20-5-3-8-32-34-20)36(18-27-31-11-13-37-27)25(16-21-6-12-38-35-21)23(33-22)17-26-29-9-10-30-26/h1-13,24H,14-18H2,(H,29,30).
What are the key properties of 2-[[5-(1H-imidazol-2-ylmethyl)-6-(1,2-oxazol-3-ylmethyl)-2-(pyridazin-3-ylmethyl)-3-(pyridin-2-ylmethyl)-2H-pyrazin-1-yl]methyl]-1,3-oxazole?
2-[[5-(1H-imidazol-2-ylmethyl)-6-(1,2-oxazol-3-ylmethyl)-2-(pyridazin-3-ylmethyl)-3-(pyridin-2-ylmethyl)-2H-pyrazin-1-yl]methyl]-1,3-oxazole has a molecular weight of 507.56 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1H-imidazol-2-ylmethyl)-6-(1,2-oxazol-3-ylmethyl)-2-(pyridazin-3-ylmethyl)-3-(pyridin-2-ylmethyl)-2H-pyrazin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 141212962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).