5-[5-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one

C19H17N5O3S — CID 140960230

IUPAC5-[5-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESCC1(C)COc2cc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)cnc2N1
InChIInChI=1S/C19H17N5O3S/c1-19(2)10-27-15-6-12(8-20-18(15)22-19)11-3-4-14-13(5-11)9-21-24(14)17-7-16(25)23-28(17)26/h3-9H,10H2,1-2H3,(H,20,22)(H,23,25)
InChIKeyPVNKMSXZRDQQAL-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.27
Rot. Bonds2

About 5-[5-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one

5-[5-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one (PubChem CID 140960230) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is 5-[5-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-[5-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
PubChem CID140960230
Molecular FormulaC19H17N5O3S
Molecular Weight395.44 g/mol
Exact Mass395.11
IUPAC Name5-[5-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESCC1(C)COc2cc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)cnc2N1
InChIInChI=1S/C19H17N5O3S/c1-19(2)10-27-15-6-12(8-20-18(15)22-19)11-3-4-14-13(5-11)9-21-24(14)17-7-16(25)23-28(17)26/h3-9H,10H2,1-2H3,(H,20,22)(H,23,25)
InChIKeyPVNKMSXZRDQQAL-UHFFFAOYSA-N
XLogP2.27
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[5-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one with MolForge

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Launch Full Analysis

Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The IUPAC name of 5-[5-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one (CID 140960230) is 5-[5-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one.
What is the SMILES notation for 5-[5-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The canonical SMILES for 5-[5-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one is CC1(C)COc2cc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)cnc2N1.
What is the InChIKey of 5-[5-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The InChIKey is PVNKMSXZRDQQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-19(2)10-27-15-6-12(8-20-18(15)22-19)11-3-4-14-13(5-11)9-21-24(14)17-7-16(25)23-28(17)26/h3-9H,10H2,1-2H3,(H,20,22)(H,23,25).
What are the key properties of 5-[5-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
5-[5-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 395.44 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 140960230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).