N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

C24H26F2N6O4 — CID 138545047

About N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 138545047) has the molecular formula C24H26F2N6O4 and a molecular weight of 500.51 g/mol. Its IUPAC name is N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 138545047
• Molecular Formula: C24H26F2N6O4
• Molecular Weight: 500.51 g/mol
• Exact Mass: 500.20
• IUPAC Name: N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: Cc1cc(C(=O)N[C@@H](CC(=O)N2CCCC2)C(=O)N[C@@H](C)c2ncc(-c3ccc(F)cc3F)[nH]2)no1
• InChI: InChI=1S/C24H26F2N6O4/c1-13-9-19(31-36-13)24(35)30-18(11-21(33)32-7-3-4-8-32)23(34)28-14(2)22-27-12-20(29-22)16-6-5-15(25)10-17(16)26/h5-6,9-10,12,14,18H,3-4,7-8,11H2,1-2H3,(H,27,29)(H,28,34)(H,30,35)/t14-,18-/m0/s1
• InChIKey: PGQJMDGELAJMCC-KSSFIOAISA-N
• XLogP: 2.64
• TPSA: 133.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.51
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 138545047) is N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N[C@@H](CC(=O)N2CCCC2)C(=O)N[C@@H](C)c2ncc(-c3ccc(F)cc3F)[nH]2)no1.

What is the InChIKey of N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The InChIKey is PGQJMDGELAJMCC-KSSFIOAISA-N. The full InChI is InChI=1S/C24H26F2N6O4/c1-13-9-19(31-36-13)24(35)30-18(11-21(33)32-7-3-4-8-32)23(34)28-14(2)22-27-12-20(29-22)16-6-5-15(25)10-17(16)26/h5-6,9-10,12,14,18H,3-4,7-8,11H2,1-2H3,(H,27,29)(H,28,34)(H,30,35)/t14-,18-/m0/s1.

What are the key properties of N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 500.51 g/mol, XLogP of 2.64, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 138545047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).