9,9-dimethyl-4-oxo-N-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;ethane

C29H34N4O6 — CID 143149725

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

9,9-dimethyl-4-oxo-N-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;ethane (PubChem CID 143149725) has the molecular formula C29H34N4O6 and a molecular weight of 534.61 g/mol. Its IUPAC name is 9,9-dimethyl-4-oxo-N-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;ethane.

Molecular Properties

• Compound Name: 9,9-dimethyl-4-oxo-N-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;ethane
• PubChem CID: 143149725
• Molecular Formula: C29H34N4O6
• Molecular Weight: 534.61 g/mol
• Exact Mass: 534.25
• IUPAC Name: 9,9-dimethyl-4-oxo-N-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;ethane
• SMILES: CC.CC1(C)OCCn2c1nc(C(=O)NCc1ccccc1N1CCOC1=O)c(OCc1ccccc1)c2=O
• InChI: InChI=1S/C27H28N4O6.C2H6/c1-27(2)25-29-21(22(24(33)31(25)13-15-37-27)36-17-18-8-4-3-5-9-18)23(32)28-16-19-10-6-7-11-20(19)30-12-14-35-26(30)34;1-2/h3-11H,12-17H2,1-2H3,(H,28,32);1-2H3
• InChIKey: GQDCBDHUGHIUCO-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 111.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.61
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-4-oxo-N-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;ethane?

The IUPAC name of 9,9-dimethyl-4-oxo-N-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;ethane (CID 143149725) is 9,9-dimethyl-4-oxo-N-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;ethane.

What is the SMILES notation for 9,9-dimethyl-4-oxo-N-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;ethane?

The canonical SMILES for 9,9-dimethyl-4-oxo-N-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;ethane is CC.CC1(C)OCCn2c1nc(C(=O)NCc1ccccc1N1CCOC1=O)c(OCc1ccccc1)c2=O.

What is the InChIKey of 9,9-dimethyl-4-oxo-N-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;ethane?

The InChIKey is GQDCBDHUGHIUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O6.C2H6/c1-27(2)25-29-21(22(24(33)31(25)13-15-37-27)36-17-18-8-4-3-5-9-18)23(32)28-16-19-10-6-7-11-20(19)30-12-14-35-26(30)34;1-2/h3-11H,12-17H2,1-2H3,(H,28,32);1-2H3.

What are the key properties of 9,9-dimethyl-4-oxo-N-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;ethane?

9,9-dimethyl-4-oxo-N-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;ethane has a molecular weight of 534.61 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-4-oxo-N-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;ethane is sourced from PubChem (CID 143149725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).