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

C15H21N5O5S — CID 51348261

IUPAC2-methyl-N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-(oxan-4-ylsulfonyl)propanamide
SMILESCc1cc(-c2nc(NC(=O)C(C)(C)S(=O)(=O)C3CCOCC3)n[nH]2)on1
InChIInChI=1S/C15H21N5O5S/c1-9-8-11(25-20-9)12-16-14(19-18-12)17-13(21)15(2,3)26(22,23)10-4-6-24-7-5-10/h8,10H,4-7H2,1-3H3,(H2,16,17,18,19,21)
InChIKeyDUSMKHPABKGIKV-UHFFFAOYSA-N
MW383.43 g/mol
LogP1.08
Rot. Bonds5

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

2-methyl-N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-(oxan-4-ylsulfonyl)propanamide (PubChem CID 51348261) has the molecular formula C15H21N5O5S and a molecular weight of 383.43 g/mol. Its IUPAC name is 2-methyl-N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-(oxan-4-ylsulfonyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-(oxan-4-ylsulfonyl)propanamide
PubChem CID51348261
Molecular FormulaC15H21N5O5S
Molecular Weight383.43 g/mol
Exact Mass383.13
IUPAC Name2-methyl-N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-(oxan-4-ylsulfonyl)propanamide
SMILESCc1cc(-c2nc(NC(=O)C(C)(C)S(=O)(=O)C3CCOCC3)n[nH]2)on1
InChIInChI=1S/C15H21N5O5S/c1-9-8-11(25-20-9)12-16-14(19-18-12)17-13(21)15(2,3)26(22,23)10-4-6-24-7-5-10/h8,10H,4-7H2,1-3H3,(H2,16,17,18,19,21)
InChIKeyDUSMKHPABKGIKV-UHFFFAOYSA-N
XLogP1.08
TPSA140.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-(oxan-4-ylsulfonyl)propanamide?
The IUPAC name of 2-methyl-N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-(oxan-4-ylsulfonyl)propanamide (CID 51348261) is 2-methyl-N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-(oxan-4-ylsulfonyl)propanamide.
What is the SMILES notation for 2-methyl-N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-(oxan-4-ylsulfonyl)propanamide?
The canonical SMILES for 2-methyl-N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-(oxan-4-ylsulfonyl)propanamide is Cc1cc(-c2nc(NC(=O)C(C)(C)S(=O)(=O)C3CCOCC3)n[nH]2)on1.
What is the InChIKey of 2-methyl-N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-(oxan-4-ylsulfonyl)propanamide?
The InChIKey is DUSMKHPABKGIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O5S/c1-9-8-11(25-20-9)12-16-14(19-18-12)17-13(21)15(2,3)26(22,23)10-4-6-24-7-5-10/h8,10H,4-7H2,1-3H3,(H2,16,17,18,19,21).
What are the key properties of 2-methyl-N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-(oxan-4-ylsulfonyl)propanamide?
2-methyl-N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-(oxan-4-ylsulfonyl)propanamide has a molecular weight of 383.43 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-(oxan-4-ylsulfonyl)propanamide is sourced from PubChem (CID 51348261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).