7-(aminosulfonimidoyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(hydroxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-2-carboxamide

C19H23N5O4S — CID 175814500

IUPAC7-(aminosulfonimidoyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(hydroxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-2-carboxamide
SMILES[H]N=S(N)(=O)c1cnn2c1OC(C(=O)Nc1c3c(cc4c1CCC4)CCC3)C2CO
InChIInChI=1S/C19H23N5O4S/c20-29(21,27)15-8-22-24-14(9-25)17(28-19(15)24)18(26)23-16-12-5-1-3-10(12)7-11-4-2-6-13(11)16/h7-8,14,17,25H,1-6,9H2,(H,23,26)(H3,20,21,27)
InChIKeyIUCRJEOYHPOZCR-UHFFFAOYSA-N
MW417.49 g/mol
LogP1.07
Rot. Bonds4

About 7-(aminosulfonimidoyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(hydroxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-2-carboxamide

7-(aminosulfonimidoyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(hydroxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-2-carboxamide (PubChem CID 175814500) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is 7-(aminosulfonimidoyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(hydroxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-2-carboxamide.

Molecular Properties

Compound Name7-(aminosulfonimidoyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(hydroxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-2-carboxamide
PubChem CID175814500
Molecular FormulaC19H23N5O4S
Molecular Weight417.49 g/mol
Exact Mass417.15
IUPAC Name7-(aminosulfonimidoyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(hydroxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-2-carboxamide
SMILES[H]N=S(N)(=O)c1cnn2c1OC(C(=O)Nc1c3c(cc4c1CCC4)CCC3)C2CO
InChIInChI=1S/C19H23N5O4S/c20-29(21,27)15-8-22-24-14(9-25)17(28-19(15)24)18(26)23-16-12-5-1-3-10(12)7-11-4-2-6-13(11)16/h7-8,14,17,25H,1-6,9H2,(H,23,26)(H3,20,21,27)
InChIKeyIUCRJEOYHPOZCR-UHFFFAOYSA-N
XLogP1.07
TPSA143.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 7-(aminosulfonimidoyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(hydroxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-2-carboxamide with MolForge

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Related Compounds

7-(aminosulfonimidoyl)-N-[(3R)-3-(methoxymethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-3-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-2-carboxamide
CID 168750947
7-(aminosulfonimidoyl)-N-[(2R)-2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole-3-carboxamide
CID 168751166
7-(aminosulfonimidoyl)-N-[(2R)-2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-(methoxymethyl)-3H-pyrazolo[5,1-b][1,3]oxazole-2-carboxamide
CID 168751130
1-[amino-(3-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 165370310
2-[[3-[(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)sulfonimidoyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]oxy]acetic acid
CID 159377903
1-[amino-[6-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 165370006
1-[[6-(3-aminoazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 157130927
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonimidoyl]urea
CID 146303883
1-[amino-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-oxo-λ6-sulfanylidene]-3-[(4S)-4-methyl-2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienyl]urea
CID 165369720
1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 135240787
1-[amino-[(2S)-2-(methoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl]-oxo-λ6-sulfanylidene]-3-[(2S)-2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea
CID 165370297
3-(aminosulfonimidoyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-6-(2-methoxyethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 175814658

Frequently Asked Questions

What is the IUPAC name of 7-(aminosulfonimidoyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(hydroxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-2-carboxamide?
The IUPAC name of 7-(aminosulfonimidoyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(hydroxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-2-carboxamide (CID 175814500) is 7-(aminosulfonimidoyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(hydroxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-2-carboxamide.
What is the SMILES notation for 7-(aminosulfonimidoyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(hydroxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-2-carboxamide?
The canonical SMILES for 7-(aminosulfonimidoyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(hydroxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-2-carboxamide is [H]N=S(N)(=O)c1cnn2c1OC(C(=O)Nc1c3c(cc4c1CCC4)CCC3)C2CO.
What is the InChIKey of 7-(aminosulfonimidoyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(hydroxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-2-carboxamide?
The InChIKey is IUCRJEOYHPOZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S/c20-29(21,27)15-8-22-24-14(9-25)17(28-19(15)24)18(26)23-16-12-5-1-3-10(12)7-11-4-2-6-13(11)16/h7-8,14,17,25H,1-6,9H2,(H,23,26)(H3,20,21,27).
What are the key properties of 7-(aminosulfonimidoyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(hydroxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-2-carboxamide?
7-(aminosulfonimidoyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(hydroxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-2-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 1.07, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminosulfonimidoyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(hydroxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-2-carboxamide is sourced from PubChem (CID 175814500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).