2-methyl-2-(3-methylbutylsulfonyl)-N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]propanamide

C15H23N5O4S — CID 51348559

IUPAC2-methyl-2-(3-methylbutylsulfonyl)-N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]propanamide
SMILESCc1cc(-c2nc(NC(=O)C(C)(C)S(=O)(=O)CCC(C)C)n[nH]2)on1
InChIInChI=1S/C15H23N5O4S/c1-9(2)6-7-25(22,23)15(4,5)13(21)17-14-16-12(18-19-14)11-8-10(3)20-24-11/h8-9H,6-7H2,1-5H3,(H2,16,17,18,19,21)
InChIKeyOEAUXSQTHKUKFM-UHFFFAOYSA-N
MW369.45 g/mol
LogP1.95
Rot. Bonds7

About 2-methyl-2-(3-methylbutylsulfonyl)-N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]propanamide

2-methyl-2-(3-methylbutylsulfonyl)-N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]propanamide (PubChem CID 51348559) has the molecular formula C15H23N5O4S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-methyl-2-(3-methylbutylsulfonyl)-N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-2-(3-methylbutylsulfonyl)-N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]propanamide
PubChem CID51348559
Molecular FormulaC15H23N5O4S
Molecular Weight369.45 g/mol
Exact Mass369.15
IUPAC Name2-methyl-2-(3-methylbutylsulfonyl)-N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]propanamide
SMILESCc1cc(-c2nc(NC(=O)C(C)(C)S(=O)(=O)CCC(C)C)n[nH]2)on1
InChIInChI=1S/C15H23N5O4S/c1-9(2)6-7-25(22,23)15(4,5)13(21)17-14-16-12(18-19-14)11-8-10(3)20-24-11/h8-9H,6-7H2,1-5H3,(H2,16,17,18,19,21)
InChIKeyOEAUXSQTHKUKFM-UHFFFAOYSA-N
XLogP1.95
TPSA130.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-methyl-2-(3-methylbutylsulfonyl)-N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]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 2-methyl-2-(3-methylbutylsulfonyl)-N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]propanamide?
The IUPAC name of 2-methyl-2-(3-methylbutylsulfonyl)-N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]propanamide (CID 51348559) is 2-methyl-2-(3-methylbutylsulfonyl)-N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]propanamide.
What is the SMILES notation for 2-methyl-2-(3-methylbutylsulfonyl)-N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]propanamide?
The canonical SMILES for 2-methyl-2-(3-methylbutylsulfonyl)-N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]propanamide is Cc1cc(-c2nc(NC(=O)C(C)(C)S(=O)(=O)CCC(C)C)n[nH]2)on1.
What is the InChIKey of 2-methyl-2-(3-methylbutylsulfonyl)-N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]propanamide?
The InChIKey is OEAUXSQTHKUKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O4S/c1-9(2)6-7-25(22,23)15(4,5)13(21)17-14-16-12(18-19-14)11-8-10(3)20-24-11/h8-9H,6-7H2,1-5H3,(H2,16,17,18,19,21).
What are the key properties of 2-methyl-2-(3-methylbutylsulfonyl)-N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]propanamide?
2-methyl-2-(3-methylbutylsulfonyl)-N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]propanamide has a molecular weight of 369.45 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylbutylsulfonyl)-N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]propanamide is sourced from PubChem (CID 51348559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).