6-[(5S)-5-[(2R,5R)-5-(acetamidomethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrimidine-4-carboxamide

C24H28FN5O5 — CID 89156806

About 6-[(5S)-5-[(2R,5R)-5-(acetamidomethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrimidine-4-carboxamide

6-[(5S)-5-[(2R,5R)-5-(acetamidomethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 89156806) has the molecular formula C24H28FN5O5 and a molecular weight of 485.52 g/mol. Its IUPAC name is 6-[(5S)-5-[(2R,5R)-5-(acetamidomethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 6-[(5S)-5-[(2R,5R)-5-(acetamidomethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrimidine-4-carboxamide
• PubChem CID: 89156806
• Molecular Formula: C24H28FN5O5
• Molecular Weight: 485.52 g/mol
• Exact Mass: 485.21
• IUPAC Name: 6-[(5S)-5-[(2R,5R)-5-(acetamidomethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrimidine-4-carboxamide
• SMILES: CC(=O)NC[C@@H]1CO[C@@H]([C@@H]2CC(c3cc(C(=O)NCc4ccc(F)c(C)c4)nc(C)n3)=NO2)CO1
• InChI: InChI=1S/C24H28FN5O5/c1-13-6-16(4-5-18(13)25)9-27-24(32)21-7-19(28-14(2)29-21)20-8-22(35-30-20)23-12-33-17(11-34-23)10-26-15(3)31/h4-7,17,22-23H,8-12H2,1-3H3,(H,26,31)(H,27,32)/t17-,22+,23-/m1/s1
• InChIKey: NGJASFSHNCVYCP-MQNAVGNWSA-N
• XLogP: 1.58
• TPSA: 124.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.52
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[(5S)-5-[(2R,5R)-5-(acetamidomethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrimidine-4-carboxamide?

The IUPAC name of 6-[(5S)-5-[(2R,5R)-5-(acetamidomethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrimidine-4-carboxamide (CID 89156806) is 6-[(5S)-5-[(2R,5R)-5-(acetamidomethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrimidine-4-carboxamide.

What is the SMILES notation for 6-[(5S)-5-[(2R,5R)-5-(acetamidomethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrimidine-4-carboxamide?

The canonical SMILES for 6-[(5S)-5-[(2R,5R)-5-(acetamidomethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrimidine-4-carboxamide is CC(=O)NC[C@@H]1CO[C@@H]([C@@H]2CC(c3cc(C(=O)NCc4ccc(F)c(C)c4)nc(C)n3)=NO2)CO1.

What is the InChIKey of 6-[(5S)-5-[(2R,5R)-5-(acetamidomethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrimidine-4-carboxamide?

The InChIKey is NGJASFSHNCVYCP-MQNAVGNWSA-N. The full InChI is InChI=1S/C24H28FN5O5/c1-13-6-16(4-5-18(13)25)9-27-24(32)21-7-19(28-14(2)29-21)20-8-22(35-30-20)23-12-33-17(11-34-23)10-26-15(3)31/h4-7,17,22-23H,8-12H2,1-3H3,(H,26,31)(H,27,32)/t17-,22+,23-/m1/s1.

What are the key properties of 6-[(5S)-5-[(2R,5R)-5-(acetamidomethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrimidine-4-carboxamide?

6-[(5S)-5-[(2R,5R)-5-(acetamidomethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 485.52 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5S)-5-[(2R,5R)-5-(acetamidomethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 89156806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).