1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea

C11H14N6O5S — CID 13469890

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
SMILESCOc1nc(C)nc(NC(=O)NS(=O)(=O)c2c(C)noc2C)n1
InChIInChI=1S/C11H14N6O5S/c1-5-8(6(2)22-16-5)23(19,20)17-10(18)14-9-12-7(3)13-11(15-9)21-4/h1-4H3,(H2,12,13,14,15,17,18)
InChIKeyLDKADUOETWFGQZ-UHFFFAOYSA-N
MW342.34 g/mol
LogP0.30
Rot. Bonds4

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea (PubChem CID 13469890) has the molecular formula C11H14N6O5S and a molecular weight of 342.34 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
PubChem CID13469890
Molecular FormulaC11H14N6O5S
Molecular Weight342.34 g/mol
Exact Mass342.07
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
SMILESCOc1nc(C)nc(NC(=O)NS(=O)(=O)c2c(C)noc2C)n1
InChIInChI=1S/C11H14N6O5S/c1-5-8(6(2)22-16-5)23(19,20)17-10(18)14-9-12-7(3)13-11(15-9)21-4/h1-4H3,(H2,12,13,14,15,17,18)
InChIKeyLDKADUOETWFGQZ-UHFFFAOYSA-N
XLogP0.30
TPSA149.20 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea (CID 13469890) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea is COc1nc(C)nc(NC(=O)NS(=O)(=O)c2c(C)noc2C)n1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea?
The InChIKey is LDKADUOETWFGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O5S/c1-5-8(6(2)22-16-5)23(19,20)17-10(18)14-9-12-7(3)13-11(15-9)21-4/h1-4H3,(H2,12,13,14,15,17,18).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea has a molecular weight of 342.34 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea is sourced from PubChem (CID 13469890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).