N-[1-(5-fluoro-6-phenylpyrimidin-4-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide

C19H20FN5O3S — CID 139023653

IUPACN-[1-(5-fluoro-6-phenylpyrimidin-4-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)C1CN(c2ncnc(-c3ccccc3)c2F)C1
InChIInChI=1S/C19H20FN5O3S/c1-12-18(13(2)28-23-12)29(26,27)24(3)15-9-25(10-15)19-16(20)17(21-11-22-19)14-7-5-4-6-8-14/h4-8,11,15H,9-10H2,1-3H3
InChIKeyLYEFXCZCNJICJF-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.40
Rot. Bonds5

About N-[1-(5-fluoro-6-phenylpyrimidin-4-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide

N-[1-(5-fluoro-6-phenylpyrimidin-4-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 139023653) has the molecular formula C19H20FN5O3S and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[1-(5-fluoro-6-phenylpyrimidin-4-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(5-fluoro-6-phenylpyrimidin-4-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
PubChem CID139023653
Molecular FormulaC19H20FN5O3S
Molecular Weight417.47 g/mol
Exact Mass417.13
IUPAC NameN-[1-(5-fluoro-6-phenylpyrimidin-4-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)C1CN(c2ncnc(-c3ccccc3)c2F)C1
InChIInChI=1S/C19H20FN5O3S/c1-12-18(13(2)28-23-12)29(26,27)24(3)15-9-25(10-15)19-16(20)17(21-11-22-19)14-7-5-4-6-8-14/h4-8,11,15H,9-10H2,1-3H3
InChIKeyLYEFXCZCNJICJF-UHFFFAOYSA-N
XLogP2.40
TPSA92.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-6-phenylpyrimidin-4-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[1-(5-fluoro-6-phenylpyrimidin-4-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (CID 139023653) is N-[1-(5-fluoro-6-phenylpyrimidin-4-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[1-(5-fluoro-6-phenylpyrimidin-4-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[1-(5-fluoro-6-phenylpyrimidin-4-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N(C)C1CN(c2ncnc(-c3ccccc3)c2F)C1.
What is the InChIKey of N-[1-(5-fluoro-6-phenylpyrimidin-4-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is LYEFXCZCNJICJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3S/c1-12-18(13(2)28-23-12)29(26,27)24(3)15-9-25(10-15)19-16(20)17(21-11-22-19)14-7-5-4-6-8-14/h4-8,11,15H,9-10H2,1-3H3.
What are the key properties of N-[1-(5-fluoro-6-phenylpyrimidin-4-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
N-[1-(5-fluoro-6-phenylpyrimidin-4-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 417.47 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-6-phenylpyrimidin-4-yl)azetidin-3-yl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 139023653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).