4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2H-indazol-6-yl]-3,5-dimethyl-1,2-oxazole;methane

C19H22N4O2 — CID 158256701

IUPAC4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2H-indazol-6-yl]-3,5-dimethyl-1,2-oxazole;methane
SMILESC.Cc1noc(C)c1-c1cc(-c2c(C)noc2C)c2c(C)[nH]nc2c1
InChIInChI=1S/C18H18N4O2.CH4/c1-8-18-14(17-10(3)22-24-12(17)5)6-13(7-15(18)20-19-8)16-9(2)21-23-11(16)4;/h6-7H,1-5H3,(H,19,20);1H4
InChIKeyGHJHBYDHQJXTIU-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.05
Rot. Bonds2

About 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2H-indazol-6-yl]-3,5-dimethyl-1,2-oxazole;methane

4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2H-indazol-6-yl]-3,5-dimethyl-1,2-oxazole;methane (PubChem CID 158256701) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2H-indazol-6-yl]-3,5-dimethyl-1,2-oxazole;methane.

Molecular Properties

Compound Name4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2H-indazol-6-yl]-3,5-dimethyl-1,2-oxazole;methane
PubChem CID158256701
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2H-indazol-6-yl]-3,5-dimethyl-1,2-oxazole;methane
SMILESC.Cc1noc(C)c1-c1cc(-c2c(C)noc2C)c2c(C)[nH]nc2c1
InChIInChI=1S/C18H18N4O2.CH4/c1-8-18-14(17-10(3)22-24-12(17)5)6-13(7-15(18)20-19-8)16-9(2)21-23-11(16)4;/h6-7H,1-5H3,(H,19,20);1H4
InChIKeyGHJHBYDHQJXTIU-UHFFFAOYSA-N
XLogP5.05
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]phenyl]-3,5-dimethyl-1,2-oxazole
CID 91804006
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789
4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-1H-benzimidazol-2-amine
CID 121293110
3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole
CID 58670338
4-(1H-indazol-6-yl)-3,5-dimethyl-1,2-oxazole
CID 118937091
3-amino-5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-one
CID 126692116
4-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
CID 11651288
4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole
CID 90732795
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol
CID 138961435
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-6-(methylamino)phenyl]-N-methylformamide;ethane
CID 177247513
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol
CID 53218794
4-[7-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane
CID 159241514

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2H-indazol-6-yl]-3,5-dimethyl-1,2-oxazole;methane?
The IUPAC name of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2H-indazol-6-yl]-3,5-dimethyl-1,2-oxazole;methane (CID 158256701) is 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2H-indazol-6-yl]-3,5-dimethyl-1,2-oxazole;methane.
What is the SMILES notation for 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2H-indazol-6-yl]-3,5-dimethyl-1,2-oxazole;methane?
The canonical SMILES for 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2H-indazol-6-yl]-3,5-dimethyl-1,2-oxazole;methane is C.Cc1noc(C)c1-c1cc(-c2c(C)noc2C)c2c(C)[nH]nc2c1.
What is the InChIKey of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2H-indazol-6-yl]-3,5-dimethyl-1,2-oxazole;methane?
The InChIKey is GHJHBYDHQJXTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2.CH4/c1-8-18-14(17-10(3)22-24-12(17)5)6-13(7-15(18)20-19-8)16-9(2)21-23-11(16)4;/h6-7H,1-5H3,(H,19,20);1H4.
What are the key properties of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2H-indazol-6-yl]-3,5-dimethyl-1,2-oxazole;methane?
4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2H-indazol-6-yl]-3,5-dimethyl-1,2-oxazole;methane has a molecular weight of 338.41 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2H-indazol-6-yl]-3,5-dimethyl-1,2-oxazole;methane is sourced from PubChem (CID 158256701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).