N-[(2,5-dimethylfuran-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

C17H21N3O5 — CID 54735151

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCc1cc(CNC(=O)c2nc3n(c(=O)c2O)CCOC3(C)C)c(C)o1
InChIInChI=1S/C17H21N3O5/c1-9-7-11(10(2)25-9)8-18-14(22)12-13(21)15(23)20-5-6-24-17(3,4)16(20)19-12/h7,21H,5-6,8H2,1-4H3,(H,18,22)
InChIKeyIFFDBUMMXFKDIE-UHFFFAOYSA-N
MW347.37 g/mol
LogP1.35
Rot. Bonds3

About N-[(2,5-dimethylfuran-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

N-[(2,5-dimethylfuran-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 54735151) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID54735151
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCc1cc(CNC(=O)c2nc3n(c(=O)c2O)CCOC3(C)C)c(C)o1
InChIInChI=1S/C17H21N3O5/c1-9-7-11(10(2)25-9)8-18-14(22)12-13(21)15(23)20-5-6-24-17(3,4)16(20)19-12/h7,21H,5-6,8H2,1-4H3,(H,18,22)
InChIKeyIFFDBUMMXFKDIE-UHFFFAOYSA-N
XLogP1.35
TPSA106.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2,5-dimethylfuran-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (CID 54735151) is N-[(2,5-dimethylfuran-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is Cc1cc(CNC(=O)c2nc3n(c(=O)c2O)CCOC3(C)C)c(C)o1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is IFFDBUMMXFKDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-9-7-11(10(2)25-9)8-18-14(22)12-13(21)15(23)20-5-6-24-17(3,4)16(20)19-12/h7,21H,5-6,8H2,1-4H3,(H,18,22).
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
N-[(2,5-dimethylfuran-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 54735151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).