N-(1,3,3,7-tetramethyl-2-oxoindol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C19H22N4O3 — CID 91959306

IUPACN-(1,3,3,7-tetramethyl-2-oxoindol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3n(n2)CCCO3)cc2c1N(C)C(=O)C2(C)C
InChIInChI=1S/C19H22N4O3/c1-11-8-12(9-13-16(11)22(4)18(25)19(13,2)3)20-17(24)14-10-15-23(21-14)6-5-7-26-15/h8-10H,5-7H2,1-4H3,(H,20,24)
InChIKeyUYAPWBYNYKWFEW-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.48
Rot. Bonds2

About N-(1,3,3,7-tetramethyl-2-oxoindol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

N-(1,3,3,7-tetramethyl-2-oxoindol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 91959306) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(1,3,3,7-tetramethyl-2-oxoindol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3,3,7-tetramethyl-2-oxoindol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID91959306
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-(1,3,3,7-tetramethyl-2-oxoindol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3n(n2)CCCO3)cc2c1N(C)C(=O)C2(C)C
InChIInChI=1S/C19H22N4O3/c1-11-8-12(9-13-16(11)22(4)18(25)19(13,2)3)20-17(24)14-10-15-23(21-14)6-5-7-26-15/h8-10H,5-7H2,1-4H3,(H,20,24)
InChIKeyUYAPWBYNYKWFEW-UHFFFAOYSA-N
XLogP2.48
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3,3,7-tetramethyl-2-oxoindol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of N-(1,3,3,7-tetramethyl-2-oxoindol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 91959306) is N-(1,3,3,7-tetramethyl-2-oxoindol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for N-(1,3,3,7-tetramethyl-2-oxoindol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for N-(1,3,3,7-tetramethyl-2-oxoindol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is Cc1cc(NC(=O)c2cc3n(n2)CCCO3)cc2c1N(C)C(=O)C2(C)C.
What is the InChIKey of N-(1,3,3,7-tetramethyl-2-oxoindol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is UYAPWBYNYKWFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-11-8-12(9-13-16(11)22(4)18(25)19(13,2)3)20-17(24)14-10-15-23(21-14)6-5-7-26-15/h8-10H,5-7H2,1-4H3,(H,20,24).
What are the key properties of N-(1,3,3,7-tetramethyl-2-oxoindol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
N-(1,3,3,7-tetramethyl-2-oxoindol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,3,7-tetramethyl-2-oxoindol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 91959306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).