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

C22H23N3O5 — CID 54735134

IUPACN-[(5-benzylfuran-2-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCC1(C)OCCn2c1nc(C(=O)NCc1ccc(Cc3ccccc3)o1)c(O)c2=O
InChIInChI=1S/C22H23N3O5/c1-22(2)21-24-17(18(26)20(28)25(21)10-11-29-22)19(27)23-13-16-9-8-15(30-16)12-14-6-4-3-5-7-14/h3-9,26H,10-13H2,1-2H3,(H,23,27)
InChIKeyXTFLBGWFPGLHHI-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.33
Rot. Bonds5

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

N-[(5-benzylfuran-2-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 54735134) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-[(5-benzylfuran-2-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-benzylfuran-2-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID54735134
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC NameN-[(5-benzylfuran-2-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCC1(C)OCCn2c1nc(C(=O)NCc1ccc(Cc3ccccc3)o1)c(O)c2=O
InChIInChI=1S/C22H23N3O5/c1-22(2)21-24-17(18(26)20(28)25(21)10-11-29-22)19(27)23-13-16-9-8-15(30-16)12-14-6-4-3-5-7-14/h3-9,26H,10-13H2,1-2H3,(H,23,27)
InChIKeyXTFLBGWFPGLHHI-UHFFFAOYSA-N
XLogP2.33
TPSA106.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(2-furyl)-5-hydroxy-1-methyl-6-oxo-pyrimidine-4-carboxamide
CID 54685900
Cambridge id 7163302
CID 751759
US11807646, Example 219
CID 139375580
(Z)-N-(3-morpholino-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl)benzamide
CID 1113661
2-tert-butyl-N-[(4-fluorophenyl)methyl]-1-[3-(furan-2-carbonylamino)propyl]-5-hydroxy-6-oxo-pyrimidine-4-carboxamide
CID 72546703
N-[4-(2-furyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(4-methoxyphenyl)methyl]formamide
CID 135964557
2-(4-fluorophenyl)-7-(2-furylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
CID 136666812
3-hydroxy-N-[(4-isopropoxyphenyl)methyl]-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717470
N-[[2-(3-furyl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717518
N-[(2-ethoxyphenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717559
3-hydroxy-N-[(4-methoxyphenyl)methyl]-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717560
N-(2,3-dihydrobenzofuran-5-ylmethyl)-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717566

Frequently Asked Questions

What is the IUPAC name of N-[(5-benzylfuran-2-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-[(5-benzylfuran-2-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (CID 54735134) is N-[(5-benzylfuran-2-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-[(5-benzylfuran-2-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-[(5-benzylfuran-2-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is CC1(C)OCCn2c1nc(C(=O)NCc1ccc(Cc3ccccc3)o1)c(O)c2=O.
What is the InChIKey of N-[(5-benzylfuran-2-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is XTFLBGWFPGLHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-22(2)21-24-17(18(26)20(28)25(21)10-11-29-22)19(27)23-13-16-9-8-15(30-16)12-14-6-4-3-5-7-14/h3-9,26H,10-13H2,1-2H3,(H,23,27).
What are the key properties of N-[(5-benzylfuran-2-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
N-[(5-benzylfuran-2-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 409.44 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzylfuran-2-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 54735134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).