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

C14H13N5O3S — CID 140960428

IUPAC5-[4-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESCN1CCOc2cc(-c3cnn(C4=CC(=O)NS4=O)c3)cnc21
InChIInChI=1S/C14H13N5O3S/c1-18-2-3-22-11-4-9(6-15-14(11)18)10-7-16-19(8-10)13-5-12(20)17-23(13)21/h4-8H,2-3H2,1H3,(H,17,20)
InChIKeyHDNKDVQFCKAYHN-UHFFFAOYSA-N
MW331.36 g/mol
LogP0.37
Rot. Bonds2

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

5-[4-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one (PubChem CID 140960428) has the molecular formula C14H13N5O3S and a molecular weight of 331.36 g/mol. Its IUPAC name is 5-[4-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-[4-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one
PubChem CID140960428
Molecular FormulaC14H13N5O3S
Molecular Weight331.36 g/mol
Exact Mass331.07
IUPAC Name5-[4-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESCN1CCOc2cc(-c3cnn(C4=CC(=O)NS4=O)c3)cnc21
InChIInChI=1S/C14H13N5O3S/c1-18-2-3-22-11-4-9(6-15-14(11)18)10-7-16-19(8-10)13-5-12(20)17-23(13)21/h4-8H,2-3H2,1H3,(H,17,20)
InChIKeyHDNKDVQFCKAYHN-UHFFFAOYSA-N
XLogP0.37
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The IUPAC name of 5-[4-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one (CID 140960428) is 5-[4-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one.
What is the SMILES notation for 5-[4-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The canonical SMILES for 5-[4-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one is CN1CCOc2cc(-c3cnn(C4=CC(=O)NS4=O)c3)cnc21.
What is the InChIKey of 5-[4-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The InChIKey is HDNKDVQFCKAYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3S/c1-18-2-3-22-11-4-9(6-15-14(11)18)10-7-16-19(8-10)13-5-12(20)17-23(13)21/h4-8H,2-3H2,1H3,(H,17,20).
What are the key properties of 5-[4-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one?
5-[4-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 331.36 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 140960428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).