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

C14H19N5O5S — CID 51348407

IUPAC2-methyl-2-(oxan-4-ylsulfonyl)-N-[5-(1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]propanamide
SMILESCC(C)(C(=O)Nc1n[nH]c(-c2ccon2)n1)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C14H19N5O5S/c1-14(2,25(21,22)9-3-6-23-7-4-9)12(20)16-13-15-11(17-18-13)10-5-8-24-19-10/h5,8-9H,3-4,6-7H2,1-2H3,(H2,15,16,17,18,20)
InChIKeyLIDHHPQWMRFUDC-UHFFFAOYSA-N
MW369.40 g/mol
LogP0.77
Rot. Bonds5

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

2-methyl-2-(oxan-4-ylsulfonyl)-N-[5-(1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]propanamide (PubChem CID 51348407) has the molecular formula C14H19N5O5S and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-methyl-2-(oxan-4-ylsulfonyl)-N-[5-(1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-2-(oxan-4-ylsulfonyl)-N-[5-(1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]propanamide
PubChem CID51348407
Molecular FormulaC14H19N5O5S
Molecular Weight369.40 g/mol
Exact Mass369.11
IUPAC Name2-methyl-2-(oxan-4-ylsulfonyl)-N-[5-(1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]propanamide
SMILESCC(C)(C(=O)Nc1n[nH]c(-c2ccon2)n1)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C14H19N5O5S/c1-14(2,25(21,22)9-3-6-23-7-4-9)12(20)16-13-15-11(17-18-13)10-5-8-24-19-10/h5,8-9H,3-4,6-7H2,1-2H3,(H2,15,16,17,18,20)
InChIKeyLIDHHPQWMRFUDC-UHFFFAOYSA-N
XLogP0.77
TPSA140.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(oxan-4-ylsulfonyl)-N-[5-(1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]propanamide?
The IUPAC name of 2-methyl-2-(oxan-4-ylsulfonyl)-N-[5-(1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]propanamide (CID 51348407) is 2-methyl-2-(oxan-4-ylsulfonyl)-N-[5-(1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]propanamide.
What is the SMILES notation for 2-methyl-2-(oxan-4-ylsulfonyl)-N-[5-(1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]propanamide?
The canonical SMILES for 2-methyl-2-(oxan-4-ylsulfonyl)-N-[5-(1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]propanamide is CC(C)(C(=O)Nc1n[nH]c(-c2ccon2)n1)S(=O)(=O)C1CCOCC1.
What is the InChIKey of 2-methyl-2-(oxan-4-ylsulfonyl)-N-[5-(1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]propanamide?
The InChIKey is LIDHHPQWMRFUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O5S/c1-14(2,25(21,22)9-3-6-23-7-4-9)12(20)16-13-15-11(17-18-13)10-5-8-24-19-10/h5,8-9H,3-4,6-7H2,1-2H3,(H2,15,16,17,18,20).
What are the key properties of 2-methyl-2-(oxan-4-ylsulfonyl)-N-[5-(1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]propanamide?
2-methyl-2-(oxan-4-ylsulfonyl)-N-[5-(1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]propanamide has a molecular weight of 369.40 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxan-4-ylsulfonyl)-N-[5-(1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]propanamide is sourced from PubChem (CID 51348407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).