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

C17H18F3N3O5 — CID 54735149

IUPAC3-hydroxy-9,9-dimethyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-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(F)(F)F)o1
InChIInChI=1S/C17H18F3N3O5/c1-8-6-9(12(28-8)17(18,19)20)7-21-13(25)10-11(24)14(26)23-4-5-27-16(2,3)15(23)22-10/h6,24H,4-5,7H2,1-3H3,(H,21,25)
InChIKeyBFCCNKJQHBPODO-UHFFFAOYSA-N
MW401.34 g/mol
LogP2.06
Rot. Bonds3

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

3-hydroxy-9,9-dimethyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 54735149) has the molecular formula C17H18F3N3O5 and a molecular weight of 401.34 g/mol. Its IUPAC name is 3-hydroxy-9,9-dimethyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-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-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID54735149
Molecular FormulaC17H18F3N3O5
Molecular Weight401.34 g/mol
Exact Mass401.12
IUPAC Name3-hydroxy-9,9-dimethyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-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(F)(F)F)o1
InChIInChI=1S/C17H18F3N3O5/c1-8-6-9(12(28-8)17(18,19)20)7-21-13(25)10-11(24)14(26)23-4-5-27-16(2,3)15(23)22-10/h6,24H,4-5,7H2,1-3H3,(H,21,25)
InChIKeyBFCCNKJQHBPODO-UHFFFAOYSA-N
XLogP2.06
TPSA106.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.34
LogP ≤ 52.06
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-methyl-2-(trifluoromethyl)furan-3-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-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (CID 54735149) is 3-hydroxy-9,9-dimethyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-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-methyl-2-(trifluoromethyl)furan-3-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-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-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(F)(F)F)o1.
What is the InChIKey of 3-hydroxy-9,9-dimethyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is BFCCNKJQHBPODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O5/c1-8-6-9(12(28-8)17(18,19)20)7-21-13(25)10-11(24)14(26)23-4-5-27-16(2,3)15(23)22-10/h6,24H,4-5,7H2,1-3H3,(H,21,25).
What are the key properties of 3-hydroxy-9,9-dimethyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
3-hydroxy-9,9-dimethyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 401.34 g/mol, XLogP of 2.06, 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-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 54735149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).