2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propan-2-ylpyrido[3,2-b][1,4]oxazine-2-carboxamide

C18H21N3O4 — CID 53040344

IUPAC2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propan-2-ylpyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCc1ccc(CNC(=O)C2(C)Oc3cccnc3N(C(C)C)C2=O)o1
InChIInChI=1S/C18H21N3O4/c1-11(2)21-15-14(6-5-9-19-15)25-18(4,17(21)23)16(22)20-10-13-8-7-12(3)24-13/h5-9,11H,10H2,1-4H3,(H,20,22)
InChIKeyDIPSBEMMOXGRCV-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.19
Rot. Bonds4

About 2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propan-2-ylpyrido[3,2-b][1,4]oxazine-2-carboxamide

2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propan-2-ylpyrido[3,2-b][1,4]oxazine-2-carboxamide (PubChem CID 53040344) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propan-2-ylpyrido[3,2-b][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propan-2-ylpyrido[3,2-b][1,4]oxazine-2-carboxamide
PubChem CID53040344
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propan-2-ylpyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCc1ccc(CNC(=O)C2(C)Oc3cccnc3N(C(C)C)C2=O)o1
InChIInChI=1S/C18H21N3O4/c1-11(2)21-15-14(6-5-9-19-15)25-18(4,17(21)23)16(22)20-10-13-8-7-12(3)24-13/h5-9,11H,10H2,1-4H3,(H,20,22)
InChIKeyDIPSBEMMOXGRCV-UHFFFAOYSA-N
XLogP2.19
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.19
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-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propan-2-ylpyrido[3,2-b][1,4]oxazine-2-carboxamide?
The IUPAC name of 2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propan-2-ylpyrido[3,2-b][1,4]oxazine-2-carboxamide (CID 53040344) is 2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propan-2-ylpyrido[3,2-b][1,4]oxazine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propan-2-ylpyrido[3,2-b][1,4]oxazine-2-carboxamide?
The canonical SMILES for 2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propan-2-ylpyrido[3,2-b][1,4]oxazine-2-carboxamide is Cc1ccc(CNC(=O)C2(C)Oc3cccnc3N(C(C)C)C2=O)o1.
What is the InChIKey of 2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propan-2-ylpyrido[3,2-b][1,4]oxazine-2-carboxamide?
The InChIKey is DIPSBEMMOXGRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11(2)21-15-14(6-5-9-19-15)25-18(4,17(21)23)16(22)20-10-13-8-7-12(3)24-13/h5-9,11H,10H2,1-4H3,(H,20,22).
What are the key properties of 2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propan-2-ylpyrido[3,2-b][1,4]oxazine-2-carboxamide?
2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propan-2-ylpyrido[3,2-b][1,4]oxazine-2-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propan-2-ylpyrido[3,2-b][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 53040344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).