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

C25H30N2O3S — CID 69466826

IUPAC5-methyl-4-[2-[(3R)-6-methylpiperidin-3-yl]ethyl]-2-[4-(4-methylsulfonylphenyl)phenyl]-1,3-oxazole
SMILESCc1oc(-c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)nc1CC[C@H]1CCC(C)NC1
InChIInChI=1S/C25H30N2O3S/c1-17-4-5-19(16-26-17)6-15-24-18(2)30-25(27-24)22-9-7-20(8-10-22)21-11-13-23(14-12-21)31(3,28)29/h7-14,17,19,26H,4-6,15-16H2,1-3H3/t17?,19-/m1/s1
InChIKeyGSJIOESCVPRYQE-WHCXFUJUSA-N
MW438.59 g/mol
LogP5.04
Rot. Bonds6

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

5-methyl-4-[2-[(3R)-6-methylpiperidin-3-yl]ethyl]-2-[4-(4-methylsulfonylphenyl)phenyl]-1,3-oxazole (PubChem CID 69466826) has the molecular formula C25H30N2O3S and a molecular weight of 438.59 g/mol. Its IUPAC name is 5-methyl-4-[2-[(3R)-6-methylpiperidin-3-yl]ethyl]-2-[4-(4-methylsulfonylphenyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-[2-[(3R)-6-methylpiperidin-3-yl]ethyl]-2-[4-(4-methylsulfonylphenyl)phenyl]-1,3-oxazole
PubChem CID69466826
Molecular FormulaC25H30N2O3S
Molecular Weight438.59 g/mol
Exact Mass438.20
IUPAC Name5-methyl-4-[2-[(3R)-6-methylpiperidin-3-yl]ethyl]-2-[4-(4-methylsulfonylphenyl)phenyl]-1,3-oxazole
SMILESCc1oc(-c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)nc1CC[C@H]1CCC(C)NC1
InChIInChI=1S/C25H30N2O3S/c1-17-4-5-19(16-26-17)6-15-24-18(2)30-25(27-24)22-9-7-20(8-10-22)21-11-13-23(14-12-21)31(3,28)29/h7-14,17,19,26H,4-6,15-16H2,1-3H3/t17?,19-/m1/s1
InChIKeyGSJIOESCVPRYQE-WHCXFUJUSA-N
XLogP5.04
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.59
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-4-[2-[(3R)-6-methylpiperidin-3-yl]ethyl]-2-[4-(4-methylsulfonylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-[(3R)-6-methylpiperidin-3-yl]ethyl]-2-[4-(4-methylsulfonylphenyl)phenyl]-1,3-oxazole?
The IUPAC name of 5-methyl-4-[2-[(3R)-6-methylpiperidin-3-yl]ethyl]-2-[4-(4-methylsulfonylphenyl)phenyl]-1,3-oxazole (CID 69466826) is 5-methyl-4-[2-[(3R)-6-methylpiperidin-3-yl]ethyl]-2-[4-(4-methylsulfonylphenyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-[2-[(3R)-6-methylpiperidin-3-yl]ethyl]-2-[4-(4-methylsulfonylphenyl)phenyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-4-[2-[(3R)-6-methylpiperidin-3-yl]ethyl]-2-[4-(4-methylsulfonylphenyl)phenyl]-1,3-oxazole is Cc1oc(-c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)nc1CC[C@H]1CCC(C)NC1.
What is the InChIKey of 5-methyl-4-[2-[(3R)-6-methylpiperidin-3-yl]ethyl]-2-[4-(4-methylsulfonylphenyl)phenyl]-1,3-oxazole?
The InChIKey is GSJIOESCVPRYQE-WHCXFUJUSA-N. The full InChI is InChI=1S/C25H30N2O3S/c1-17-4-5-19(16-26-17)6-15-24-18(2)30-25(27-24)22-9-7-20(8-10-22)21-11-13-23(14-12-21)31(3,28)29/h7-14,17,19,26H,4-6,15-16H2,1-3H3/t17?,19-/m1/s1.
What are the key properties of 5-methyl-4-[2-[(3R)-6-methylpiperidin-3-yl]ethyl]-2-[4-(4-methylsulfonylphenyl)phenyl]-1,3-oxazole?
5-methyl-4-[2-[(3R)-6-methylpiperidin-3-yl]ethyl]-2-[4-(4-methylsulfonylphenyl)phenyl]-1,3-oxazole has a molecular weight of 438.59 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-[(3R)-6-methylpiperidin-3-yl]ethyl]-2-[4-(4-methylsulfonylphenyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 69466826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).