1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea

C19H26FN5O3S — CID 147379883

IUPAC1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea
SMILES[H]N=S(=O)(NC(=O)Nc1c(C(C)C)cc(F)cc1C(C)C)c1cnn2c1OCCC2
InChIInChI=1S/C19H26FN5O3S/c1-11(2)14-8-13(20)9-15(12(3)4)17(14)23-19(26)24-29(21,27)16-10-22-25-6-5-7-28-18(16)25/h8-12H,5-7H2,1-4H3,(H3,21,23,24,26,27)
InChIKeyDKTLANUVGOOREZ-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.19
Rot. Bonds5

About 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea

1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea (PubChem CID 147379883) has the molecular formula C19H26FN5O3S and a molecular weight of 423.51 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea
PubChem CID147379883
Molecular FormulaC19H26FN5O3S
Molecular Weight423.51 g/mol
Exact Mass423.17
IUPAC Name1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea
SMILES[H]N=S(=O)(NC(=O)Nc1c(C(C)C)cc(F)cc1C(C)C)c1cnn2c1OCCC2
InChIInChI=1S/C19H26FN5O3S/c1-11(2)14-8-13(20)9-15(12(3)4)17(14)23-19(26)24-29(21,27)16-10-22-25-6-5-7-28-18(16)25/h8-12H,5-7H2,1-4H3,(H3,21,23,24,26,27)
InChIKeyDKTLANUVGOOREZ-UHFFFAOYSA-N
XLogP4.19
TPSA109.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea?
The IUPAC name of 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea (CID 147379883) is 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea.
What is the SMILES notation for 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea?
The canonical SMILES for 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea is [H]N=S(=O)(NC(=O)Nc1c(C(C)C)cc(F)cc1C(C)C)c1cnn2c1OCCC2.
What is the InChIKey of 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea?
The InChIKey is DKTLANUVGOOREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O3S/c1-11(2)14-8-13(20)9-15(12(3)4)17(14)23-19(26)24-29(21,27)16-10-22-25-6-5-7-28-18(16)25/h8-12H,5-7H2,1-4H3,(H3,21,23,24,26,27).
What are the key properties of 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea?
1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea has a molecular weight of 423.51 g/mol, XLogP of 4.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea is sourced from PubChem (CID 147379883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).