3,5-dimethyl-N-[(6-phenylpyrimidin-4-yl)methyl]-1,2-oxazole-4-sulfonamide

C16H16N4O3S — CID 122262152

IUPAC3,5-dimethyl-N-[(6-phenylpyrimidin-4-yl)methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C16H16N4O3S/c1-11-16(12(2)23-20-11)24(21,22)19-9-14-8-15(18-10-17-14)13-6-4-3-5-7-13/h3-8,10,19H,9H2,1-2H3
InChIKeyVGPAQZGSFAHZFF-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.23
Rot. Bonds5

About 3,5-dimethyl-N-[(6-phenylpyrimidin-4-yl)methyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[(6-phenylpyrimidin-4-yl)methyl]-1,2-oxazole-4-sulfonamide (PubChem CID 122262152) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(6-phenylpyrimidin-4-yl)methyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(6-phenylpyrimidin-4-yl)methyl]-1,2-oxazole-4-sulfonamide
PubChem CID122262152
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name3,5-dimethyl-N-[(6-phenylpyrimidin-4-yl)methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C16H16N4O3S/c1-11-16(12(2)23-20-11)24(21,22)19-9-14-8-15(18-10-17-14)13-6-4-3-5-7-13/h3-8,10,19H,9H2,1-2H3
InChIKeyVGPAQZGSFAHZFF-UHFFFAOYSA-N
XLogP2.23
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(6-phenylpyrimidin-4-yl)methyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(6-phenylpyrimidin-4-yl)methyl]-1,2-oxazole-4-sulfonamide (CID 122262152) is 3,5-dimethyl-N-[(6-phenylpyrimidin-4-yl)methyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(6-phenylpyrimidin-4-yl)methyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(6-phenylpyrimidin-4-yl)methyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCc1cc(-c2ccccc2)ncn1.
What is the InChIKey of 3,5-dimethyl-N-[(6-phenylpyrimidin-4-yl)methyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is VGPAQZGSFAHZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-11-16(12(2)23-20-11)24(21,22)19-9-14-8-15(18-10-17-14)13-6-4-3-5-7-13/h3-8,10,19H,9H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-[(6-phenylpyrimidin-4-yl)methyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[(6-phenylpyrimidin-4-yl)methyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 344.40 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(6-phenylpyrimidin-4-yl)methyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 122262152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).