2,4-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)pyrido[3,2-b][1,4]oxazine-2-carboxamide

C15H15N3O3S — CID 53173767

IUPAC2,4-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)pyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCN1C(=O)C(C)(C(=O)NCc2cccs2)Oc2cccnc21
InChIInChI=1S/C15H15N3O3S/c1-15(13(19)17-9-10-5-4-8-22-10)14(20)18(2)12-11(21-15)6-3-7-16-12/h3-8H,9H2,1-2H3,(H,17,19)
InChIKeyPVXCRVFGAKAJJX-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.57
Rot. Bonds3

About 2,4-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)pyrido[3,2-b][1,4]oxazine-2-carboxamide

2,4-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)pyrido[3,2-b][1,4]oxazine-2-carboxamide (PubChem CID 53173767) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 2,4-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)pyrido[3,2-b][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)pyrido[3,2-b][1,4]oxazine-2-carboxamide
PubChem CID53173767
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name2,4-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)pyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCN1C(=O)C(C)(C(=O)NCc2cccs2)Oc2cccnc21
InChIInChI=1S/C15H15N3O3S/c1-15(13(19)17-9-10-5-4-8-22-10)14(20)18(2)12-11(21-15)6-3-7-16-12/h3-8H,9H2,1-2H3,(H,17,19)
InChIKeyPVXCRVFGAKAJJX-UHFFFAOYSA-N
XLogP1.57
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)pyrido[3,2-b][1,4]oxazine-2-carboxamide?
The IUPAC name of 2,4-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)pyrido[3,2-b][1,4]oxazine-2-carboxamide (CID 53173767) is 2,4-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)pyrido[3,2-b][1,4]oxazine-2-carboxamide.
What is the SMILES notation for 2,4-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)pyrido[3,2-b][1,4]oxazine-2-carboxamide?
The canonical SMILES for 2,4-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)pyrido[3,2-b][1,4]oxazine-2-carboxamide is CN1C(=O)C(C)(C(=O)NCc2cccs2)Oc2cccnc21.
What is the InChIKey of 2,4-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)pyrido[3,2-b][1,4]oxazine-2-carboxamide?
The InChIKey is PVXCRVFGAKAJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-15(13(19)17-9-10-5-4-8-22-10)14(20)18(2)12-11(21-15)6-3-7-16-12/h3-8H,9H2,1-2H3,(H,17,19).
What are the key properties of 2,4-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)pyrido[3,2-b][1,4]oxazine-2-carboxamide?
2,4-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)pyrido[3,2-b][1,4]oxazine-2-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)pyrido[3,2-b][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 53173767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).