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

C20H26FN3O4S — CID 165169361

IUPACN-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cc(F)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1cnn2c1OCCC2
InChIInChI=1S/C20H26FN3O4S/c1-12(2)15-8-14(21)9-16(13(3)4)17(15)10-19(25)23-29(26,27)18-11-22-24-6-5-7-28-20(18)24/h8-9,11-13H,5-7,10H2,1-4H3,(H,23,25)
InChIKeyYQDFZQWMTLCJCI-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.10
Rot. Bonds6

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

N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 165169361) has the molecular formula C20H26FN3O4S and a molecular weight of 423.51 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID165169361
Molecular FormulaC20H26FN3O4S
Molecular Weight423.51 g/mol
Exact Mass423.16
IUPAC NameN-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cc(F)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1cnn2c1OCCC2
InChIInChI=1S/C20H26FN3O4S/c1-12(2)15-8-14(21)9-16(13(3)4)17(15)10-19(25)23-29(26,27)18-11-22-24-6-5-7-28-20(18)24/h8-9,11-13H,5-7,10H2,1-4H3,(H,23,25)
InChIKeyYQDFZQWMTLCJCI-UHFFFAOYSA-N
XLogP3.10
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide (CID 165169361) is N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide is CC(C)c1cc(F)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1cnn2c1OCCC2.
What is the InChIKey of N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is YQDFZQWMTLCJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O4S/c1-12(2)15-8-14(21)9-16(13(3)4)17(15)10-19(25)23-29(26,27)18-11-22-24-6-5-7-28-20(18)24/h8-9,11-13H,5-7,10H2,1-4H3,(H,23,25).
What are the key properties of N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide?
N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 423.51 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 165169361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).