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

C23H25N3O5S — CID 59646783

IUPAC9,9-dimethyl-N-[(5-methylsulfanylfuran-2-yl)methyl]-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCSc1ccc(CNC(=O)c2nc3n(c(=O)c2OCc2ccccc2)CCOC3(C)C)o1
InChIInChI=1S/C23H25N3O5S/c1-23(2)22-25-18(20(27)24-13-16-9-10-17(31-16)32-3)19(21(28)26(22)11-12-30-23)29-14-15-7-5-4-6-8-15/h4-10H,11-14H2,1-3H3,(H,24,27)
InChIKeyIHSRXYQUJOTUAI-UHFFFAOYSA-N
MW455.54 g/mol
LogP3.33
Rot. Bonds7

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

9,9-dimethyl-N-[(5-methylsulfanylfuran-2-yl)methyl]-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 59646783) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is 9,9-dimethyl-N-[(5-methylsulfanylfuran-2-yl)methyl]-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name9,9-dimethyl-N-[(5-methylsulfanylfuran-2-yl)methyl]-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID59646783
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC Name9,9-dimethyl-N-[(5-methylsulfanylfuran-2-yl)methyl]-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCSc1ccc(CNC(=O)c2nc3n(c(=O)c2OCc2ccccc2)CCOC3(C)C)o1
InChIInChI=1S/C23H25N3O5S/c1-23(2)22-25-18(20(27)24-13-16-9-10-17(31-16)32-3)19(21(28)26(22)11-12-30-23)29-14-15-7-5-4-6-8-15/h4-10H,11-14H2,1-3H3,(H,24,27)
InChIKeyIHSRXYQUJOTUAI-UHFFFAOYSA-N
XLogP3.33
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 9,9-dimethyl-N-[(5-methylsulfanylfuran-2-yl)methyl]-4-oxo-3-phenylmethoxy-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 9,9-dimethyl-N-[(5-methylsulfanylfuran-2-yl)methyl]-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of 9,9-dimethyl-N-[(5-methylsulfanylfuran-2-yl)methyl]-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (CID 59646783) is 9,9-dimethyl-N-[(5-methylsulfanylfuran-2-yl)methyl]-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for 9,9-dimethyl-N-[(5-methylsulfanylfuran-2-yl)methyl]-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for 9,9-dimethyl-N-[(5-methylsulfanylfuran-2-yl)methyl]-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is CSc1ccc(CNC(=O)c2nc3n(c(=O)c2OCc2ccccc2)CCOC3(C)C)o1.
What is the InChIKey of 9,9-dimethyl-N-[(5-methylsulfanylfuran-2-yl)methyl]-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is IHSRXYQUJOTUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-23(2)22-25-18(20(27)24-13-16-9-10-17(31-16)32-3)19(21(28)26(22)11-12-30-23)29-14-15-7-5-4-6-8-15/h4-10H,11-14H2,1-3H3,(H,24,27).
What are the key properties of 9,9-dimethyl-N-[(5-methylsulfanylfuran-2-yl)methyl]-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
9,9-dimethyl-N-[(5-methylsulfanylfuran-2-yl)methyl]-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 455.54 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[(5-methylsulfanylfuran-2-yl)methyl]-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 59646783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).