4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-morpholin-4-ylphenyl)benzamide;4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide;ethane;molecular hydrogen

C46H57N5O8 — CID 142437080

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-morpholin-4-ylphenyl)benzamide;4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide;ethane;molecular hydrogen

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-morpholin-4-ylphenyl)benzamide;4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide;ethane;molecular hydrogen (PubChem CID 142437080) has the molecular formula C46H57N5O8 and a molecular weight of 807.99 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-morpholin-4-ylphenyl)benzamide;4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide;ethane;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-morpholin-4-ylphenyl)benzamide;4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide;ethane;molecular hydrogen
• PubChem CID: 142437080
• Molecular Formula: C46H57N5O8
• Molecular Weight: 807.99 g/mol
• Exact Mass: 807.42
• IUPAC Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-morpholin-4-ylphenyl)benzamide;4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide;ethane;molecular hydrogen
• SMILES: CC.COc1cc(C(=O)Nc2ccccc2N2CCOCC2)ccc1OCc1c(C)noc1C.Cc1ccccc1NC(=O)c1ccc(OCc2c(C)noc2C)cc1.[H][H].[H][H]
• InChI: InChI=1S/C24H27N3O5.C20H20N2O3.C2H6.2H2/c1-16-19(17(2)32-26-16)15-31-22-9-8-18(14-23(22)29-3)24(28)25-20-6-4-5-7-21(20)27-10-12-30-13-11-27;1-13-6-4-5-7-19(13)21-20(23)16-8-10-17(11-9-16)24-12-18-14(2)22-25-15(18)3;1-2;;/h4-9,14H,10-13,15H2,1-3H3,(H,25,28);4-11H,12H2,1-3H3,(H,21,23);1-2H3;2*1H
• InChIKey: RJTOMGXEPAUHKB-UHFFFAOYSA-N
• XLogP: 9.92
• TPSA: 150.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	807.99
LogP ≤ 5	9.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-morpholin-4-ylphenyl)benzamide;4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide;ethane;molecular hydrogen?

The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-morpholin-4-ylphenyl)benzamide;4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide;ethane;molecular hydrogen (CID 142437080) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-morpholin-4-ylphenyl)benzamide;4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide;ethane;molecular hydrogen.

What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-morpholin-4-ylphenyl)benzamide;4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide;ethane;molecular hydrogen?

The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-morpholin-4-ylphenyl)benzamide;4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide;ethane;molecular hydrogen is CC.COc1cc(C(=O)Nc2ccccc2N2CCOCC2)ccc1OCc1c(C)noc1C.Cc1ccccc1NC(=O)c1ccc(OCc2c(C)noc2C)cc1.[H][H].[H][H].

What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-morpholin-4-ylphenyl)benzamide;4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide;ethane;molecular hydrogen?

The InChIKey is RJTOMGXEPAUHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5.C20H20N2O3.C2H6.2H2/c1-16-19(17(2)32-26-16)15-31-22-9-8-18(14-23(22)29-3)24(28)25-20-6-4-5-7-21(20)27-10-12-30-13-11-27;1-13-6-4-5-7-19(13)21-20(23)16-8-10-17(11-9-16)24-12-18-14(2)22-25-15(18)3;1-2;;/h4-9,14H,10-13,15H2,1-3H3,(H,25,28);4-11H,12H2,1-3H3,(H,21,23);1-2H3;2*1H.

What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-morpholin-4-ylphenyl)benzamide;4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide;ethane;molecular hydrogen?

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-morpholin-4-ylphenyl)benzamide;4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide;ethane;molecular hydrogen has a molecular weight of 807.99 g/mol, XLogP of 9.92, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-morpholin-4-ylphenyl)benzamide;4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide;ethane;molecular hydrogen is sourced from PubChem (CID 142437080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).