N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methylsulfonyl]propanamide

C17H29N3O6S2 — CID 25004033

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methylsulfonyl]propanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CCN(S(C)(=O)=O)C2)no1
InChIInChI=1S/C17H29N3O6S2/c1-16(2,3)13-9-14(19-26-13)18-15(21)17(4,5)28(24,25)11-12-7-8-20(10-12)27(6,22)23/h9,12H,7-8,10-11H2,1-6H3,(H,18,19,21)
InChIKeyYFJNRBQZPAGOPZ-UHFFFAOYSA-N
MW435.57 g/mol
LogP1.39
Rot. Bonds6

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methylsulfonyl]propanamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methylsulfonyl]propanamide (PubChem CID 25004033) has the molecular formula C17H29N3O6S2 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methylsulfonyl]propanamide
PubChem CID25004033
Molecular FormulaC17H29N3O6S2
Molecular Weight435.57 g/mol
Exact Mass435.15
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methylsulfonyl]propanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CCN(S(C)(=O)=O)C2)no1
InChIInChI=1S/C17H29N3O6S2/c1-16(2,3)13-9-14(19-26-13)18-15(21)17(4,5)28(24,25)11-12-7-8-20(10-12)27(6,22)23/h9,12H,7-8,10-11H2,1-6H3,(H,18,19,21)
InChIKeyYFJNRBQZPAGOPZ-UHFFFAOYSA-N
XLogP1.39
TPSA126.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methylsulfonyl]propanamide 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 N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methylsulfonyl]propanamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methylsulfonyl]propanamide (CID 25004033) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methylsulfonyl]propanamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methylsulfonyl]propanamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methylsulfonyl]propanamide is CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CCN(S(C)(=O)=O)C2)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methylsulfonyl]propanamide?
The InChIKey is YFJNRBQZPAGOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O6S2/c1-16(2,3)13-9-14(19-26-13)18-15(21)17(4,5)28(24,25)11-12-7-8-20(10-12)27(6,22)23/h9,12H,7-8,10-11H2,1-6H3,(H,18,19,21).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methylsulfonyl]propanamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methylsulfonyl]propanamide has a molecular weight of 435.57 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methylsulfonyl]propanamide is sourced from PubChem (CID 25004033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).