5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]-1,3-oxazole

C22H26N4O3S — CID 58951384

IUPAC5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]-1,3-oxazole
SMILESCc1oc(-c2ccc(-c3ccc(S(C)(=O)=O)nn3)cc2)nc1CCN1CCC[C@H]1C
InChIInChI=1S/C22H26N4O3S/c1-15-5-4-13-26(15)14-12-19-16(2)29-22(23-19)18-8-6-17(7-9-18)20-10-11-21(25-24-20)30(3,27)28/h6-11,15H,4-5,12-14H2,1-3H3/t15-/m1/s1
InChIKeyVDIBZWGODBHBAG-OAHLLOKOSA-N
MW426.54 g/mol
LogP3.54
Rot. Bonds6

About 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]-1,3-oxazole

5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]-1,3-oxazole (PubChem CID 58951384) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]-1,3-oxazole
PubChem CID58951384
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]-1,3-oxazole
SMILESCc1oc(-c2ccc(-c3ccc(S(C)(=O)=O)nn3)cc2)nc1CCN1CCC[C@H]1C
InChIInChI=1S/C22H26N4O3S/c1-15-5-4-13-26(15)14-12-19-16(2)29-22(23-19)18-8-6-17(7-9-18)20-10-11-21(25-24-20)30(3,27)28/h6-11,15H,4-5,12-14H2,1-3H3/t15-/m1/s1
InChIKeyVDIBZWGODBHBAG-OAHLLOKOSA-N
XLogP3.54
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-4-[3-(2-methylpyrrolidin-1-yl)propyl]-2-[4-(4-methylsulfonylphenyl)phenyl]-1,3-oxazole
CID 68700806
5-methyl-4-[3-(2-methylpyrrolidin-1-yl)propyl]-2-[4-(4-methylsulfonylphenyl)phenyl]-1,3-oxazole;hydrochloride
CID 68701715
5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole
CID 58951438
5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyrimidin-5-ylphenyl)-1,3-oxazole
CID 58951472
[4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl]methanol
CID 58951382
[4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl] carbamate
CID 68868786
2-[4-[4-(3-fluoropropylsulfonyl)phenyl]phenyl]-5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazole;hydrochloride
CID 68703401
2-[4-(6-methoxy-3-pyridinyl)phenyl]-5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazole
CID 91188409
5-methyl-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-2-[4-(4-methylsulfonylphenyl)phenyl]-1,3-oxazole
CID 58951492
2-(4-butoxyphenyl)-5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]-1,3-oxazole
CID 58951495
4-[2-(azetidin-1-yl)ethyl]-5-methyl-2-[4-(4-methylsulfonylphenyl)phenyl]-1,3-oxazole
CID 58951484
5-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propyl]-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole
CID 143186014

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]-1,3-oxazole?
The IUPAC name of 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]-1,3-oxazole (CID 58951384) is 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]-1,3-oxazole is Cc1oc(-c2ccc(-c3ccc(S(C)(=O)=O)nn3)cc2)nc1CCN1CCC[C@H]1C.
What is the InChIKey of 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]-1,3-oxazole?
The InChIKey is VDIBZWGODBHBAG-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-15-5-4-13-26(15)14-12-19-16(2)29-22(23-19)18-8-6-17(7-9-18)20-10-11-21(25-24-20)30(3,27)28/h6-11,15H,4-5,12-14H2,1-3H3/t15-/m1/s1.
What are the key properties of 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]-1,3-oxazole?
5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]-1,3-oxazole has a molecular weight of 426.54 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]-1,3-oxazole is sourced from PubChem (CID 58951384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).