5-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one

C15H13FN4O5S — CID 119100430

IUPAC5-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(S(=O)(=O)N3CCC(Oc4ncc(F)cn4)C3)ccc2o1
InChIInChI=1S/C15H13FN4O5S/c16-9-6-17-14(18-7-9)24-10-3-4-20(8-10)26(22,23)11-1-2-13-12(5-11)19-15(21)25-13/h1-2,5-7,10H,3-4,8H2,(H,19,21)
InChIKeyVZMMOPNLANUGLM-UHFFFAOYSA-N
MW380.36 g/mol
LogP0.89
Rot. Bonds4

About 5-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one

5-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one (PubChem CID 119100430) has the molecular formula C15H13FN4O5S and a molecular weight of 380.36 g/mol. Its IUPAC name is 5-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
PubChem CID119100430
Molecular FormulaC15H13FN4O5S
Molecular Weight380.36 g/mol
Exact Mass380.06
IUPAC Name5-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(S(=O)(=O)N3CCC(Oc4ncc(F)cn4)C3)ccc2o1
InChIInChI=1S/C15H13FN4O5S/c16-9-6-17-14(18-7-9)24-10-3-4-20(8-10)26(22,23)11-1-2-13-12(5-11)19-15(21)25-13/h1-2,5-7,10H,3-4,8H2,(H,19,21)
InChIKeyVZMMOPNLANUGLM-UHFFFAOYSA-N
XLogP0.89
TPSA118.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one with MolForge

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Related Compounds

5-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 100754268
5-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 100630109
5-pyrrolidin-1-ylsulfonyl-3H-1,3-benzoxazol-2-one
CID 110760633
6-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122267262
1-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonyl]piperidine-4-carboxylic acid
CID 146024901
5-fluoro-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]oxypyrimidine
CID 129355039
5-[4-(1-methylimidazol-2-yl)piperidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 72844155
2-[1-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252691
5-fluoro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 121018022
5-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-2-methoxybenzamide
CID 122267256
5-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 126951964
5-bromo-2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259163

Frequently Asked Questions

What is the IUPAC name of 5-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one (CID 119100430) is 5-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one is O=c1[nH]c2cc(S(=O)(=O)N3CCC(Oc4ncc(F)cn4)C3)ccc2o1.
What is the InChIKey of 5-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one?
The InChIKey is VZMMOPNLANUGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O5S/c16-9-6-17-14(18-7-9)24-10-3-4-20(8-10)26(22,23)11-1-2-13-12(5-11)19-15(21)25-13/h1-2,5-7,10H,3-4,8H2,(H,19,21).
What are the key properties of 5-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one?
5-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one has a molecular weight of 380.36 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 119100430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).