3,5-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,2-oxazole-4-sulfonamide

C14H19N5O4S — CID 72718132

IUPAC3,5-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1nccc(N2CCOCC2)n1
InChIInChI=1S/C14H19N5O4S/c1-10-14(11(2)23-18-10)24(20,21)16-9-12-15-4-3-13(17-12)19-5-7-22-8-6-19/h3-4,16H,5-9H2,1-2H3
InChIKeyFSNDYQZDNGYRMD-UHFFFAOYSA-N
MW353.40 g/mol
LogP0.40
Rot. Bonds5

About 3,5-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,2-oxazole-4-sulfonamide (PubChem CID 72718132) has the molecular formula C14H19N5O4S and a molecular weight of 353.40 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
PubChem CID72718132
Molecular FormulaC14H19N5O4S
Molecular Weight353.40 g/mol
Exact Mass353.12
IUPAC Name3,5-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1nccc(N2CCOCC2)n1
InChIInChI=1S/C14H19N5O4S/c1-10-14(11(2)23-18-10)24(20,21)16-9-12-15-4-3-13(17-12)19-5-7-22-8-6-19/h3-4,16H,5-9H2,1-2H3
InChIKeyFSNDYQZDNGYRMD-UHFFFAOYSA-N
XLogP0.40
TPSA110.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,2-oxazole-4-sulfonamide (CID 72718132) is 3,5-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCc1nccc(N2CCOCC2)n1.
What is the InChIKey of 3,5-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is FSNDYQZDNGYRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O4S/c1-10-14(11(2)23-18-10)24(20,21)16-9-12-15-4-3-13(17-12)19-5-7-22-8-6-19/h3-4,16H,5-9H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 353.40 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 72718132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).