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

C16H19N3O5 — CID 54735144

IUPAC3-hydroxy-9,9-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2nc3n(c(=O)c2O)CCOC3(C)C)o1
InChIInChI=1S/C16H19N3O5/c1-9-4-5-10(24-9)8-17-13(21)11-12(20)14(22)19-6-7-23-16(2,3)15(19)18-11/h4-5,20H,6-8H2,1-3H3,(H,17,21)
InChIKeyXSMOPSIGCSQEKA-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.05
Rot. Bonds3

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

3-hydroxy-9,9-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 54735144) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 3-hydroxy-9,9-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-9,9-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID54735144
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name3-hydroxy-9,9-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2nc3n(c(=O)c2O)CCOC3(C)C)o1
InChIInChI=1S/C16H19N3O5/c1-9-4-5-10(24-9)8-17-13(21)11-12(20)14(22)19-6-7-23-16(2,3)15(19)18-11/h4-5,20H,6-8H2,1-3H3,(H,17,21)
InChIKeyXSMOPSIGCSQEKA-UHFFFAOYSA-N
XLogP1.05
TPSA106.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-9,9-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of 3-hydroxy-9,9-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (CID 54735144) is 3-hydroxy-9,9-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-9,9-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for 3-hydroxy-9,9-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is Cc1ccc(CNC(=O)c2nc3n(c(=O)c2O)CCOC3(C)C)o1.
What is the InChIKey of 3-hydroxy-9,9-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is XSMOPSIGCSQEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-9-4-5-10(24-9)8-17-13(21)11-12(20)14(22)19-6-7-23-16(2,3)15(19)18-11/h4-5,20H,6-8H2,1-3H3,(H,17,21).
What are the key properties of 3-hydroxy-9,9-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
3-hydroxy-9,9-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 333.34 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-9,9-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 54735144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).