N-(10-ethyl-18-fluoro-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)-2-(hydroxymethyl)-1,3-oxazole-4-carboxamide

C29H25FN4O6 — CID 166119656

About N-(10-ethyl-18-fluoro-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)-2-(hydroxymethyl)-1,3-oxazole-4-carboxamide

N-(10-ethyl-18-fluoro-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)-2-(hydroxymethyl)-1,3-oxazole-4-carboxamide (PubChem CID 166119656) has the molecular formula C29H25FN4O6 and a molecular weight of 544.54 g/mol. Its IUPAC name is N-(10-ethyl-18-fluoro-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)-2-(hydroxymethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(10-ethyl-18-fluoro-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)-2-(hydroxymethyl)-1,3-oxazole-4-carboxamide
• PubChem CID: 166119656
• Molecular Formula: C29H25FN4O6
• Molecular Weight: 544.54 g/mol
• Exact Mass: 544.18
• IUPAC Name: N-(10-ethyl-18-fluoro-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)-2-(hydroxymethyl)-1,3-oxazole-4-carboxamide
• SMILES: CCC1C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2C(NC(=O)c1coc(CO)n1)CC3
• InChI: InChI=1S/C29H25FN4O6/c1-3-13-15-6-22-26-16(8-34(22)28(37)17(15)10-40-29(13)38)25-19(33-27(36)21-11-39-23(9-35)31-21)5-4-14-12(2)18(30)7-20(32-26)24(14)25/h6-7,11,13,19,35H,3-5,8-10H2,1-2H3,(H,33,36)
• InChIKey: BWIMHJGCGVSCIJ-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 136.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.54
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(10-ethyl-18-fluoro-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)-2-(hydroxymethyl)-1,3-oxazole-4-carboxamide?

The IUPAC name of N-(10-ethyl-18-fluoro-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)-2-(hydroxymethyl)-1,3-oxazole-4-carboxamide (CID 166119656) is N-(10-ethyl-18-fluoro-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)-2-(hydroxymethyl)-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-(10-ethyl-18-fluoro-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)-2-(hydroxymethyl)-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-(10-ethyl-18-fluoro-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)-2-(hydroxymethyl)-1,3-oxazole-4-carboxamide is CCC1C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2C(NC(=O)c1coc(CO)n1)CC3.

What is the InChIKey of N-(10-ethyl-18-fluoro-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)-2-(hydroxymethyl)-1,3-oxazole-4-carboxamide?

The InChIKey is BWIMHJGCGVSCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN4O6/c1-3-13-15-6-22-26-16(8-34(22)28(37)17(15)10-40-29(13)38)25-19(33-27(36)21-11-39-23(9-35)31-21)5-4-14-12(2)18(30)7-20(32-26)24(14)25/h6-7,11,13,19,35H,3-5,8-10H2,1-2H3,(H,33,36).

What are the key properties of N-(10-ethyl-18-fluoro-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)-2-(hydroxymethyl)-1,3-oxazole-4-carboxamide?

N-(10-ethyl-18-fluoro-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)-2-(hydroxymethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 544.54 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(10-ethyl-18-fluoro-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)-2-(hydroxymethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 166119656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).