(2S)-5-[2-(difluoromethoxy)phenyl]-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]pentanamide

C25H31F2N3O7 — CID 21025660

About (2S)-5-[2-(difluoromethoxy)phenyl]-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]pentanamide

(2S)-5-[2-(difluoromethoxy)phenyl]-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]pentanamide (PubChem CID 21025660) has the molecular formula C25H31F2N3O7 and a molecular weight of 523.53 g/mol. Its IUPAC name is (2S)-5-[2-(difluoromethoxy)phenyl]-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]pentanamide.

Molecular Properties

• Compound Name: (2S)-5-[2-(difluoromethoxy)phenyl]-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]pentanamide
• PubChem CID: 21025660
• Molecular Formula: C25H31F2N3O7
• Molecular Weight: 523.53 g/mol
• Exact Mass: 523.21
• IUPAC Name: (2S)-5-[2-(difluoromethoxy)phenyl]-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]pentanamide
• SMILES: CC[C@H](NC(=O)[C@@H](CCCc1ccccc1OC(F)F)[C@@H](O)C(=O)N1CCOCC1)C(=O)c1ncco1
• InChI: InChI=1S/C25H31F2N3O7/c1-2-18(21(32)23-28-10-13-36-23)29-22(33)17(20(31)24(34)30-11-14-35-15-12-30)8-5-7-16-6-3-4-9-19(16)37-25(26)27/h3-4,6,9-10,13,17-18,20,25,31H,2,5,7-8,11-12,14-15H2,1H3,(H,29,33)/t17-,18-,20+/m0/s1
• InChIKey: WFITYMMIBZWKMD-CMKODMSKSA-N
• XLogP: 2.21
• TPSA: 131.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.53
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S)-5-[2-(difluoromethoxy)phenyl]-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]pentanamide?

The IUPAC name of (2S)-5-[2-(difluoromethoxy)phenyl]-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]pentanamide (CID 21025660) is (2S)-5-[2-(difluoromethoxy)phenyl]-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]pentanamide.

What is the SMILES notation for (2S)-5-[2-(difluoromethoxy)phenyl]-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]pentanamide?

The canonical SMILES for (2S)-5-[2-(difluoromethoxy)phenyl]-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]pentanamide is CC[C@H](NC(=O)[C@@H](CCCc1ccccc1OC(F)F)[C@@H](O)C(=O)N1CCOCC1)C(=O)c1ncco1.

What is the InChIKey of (2S)-5-[2-(difluoromethoxy)phenyl]-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]pentanamide?

The InChIKey is WFITYMMIBZWKMD-CMKODMSKSA-N. The full InChI is InChI=1S/C25H31F2N3O7/c1-2-18(21(32)23-28-10-13-36-23)29-22(33)17(20(31)24(34)30-11-14-35-15-12-30)8-5-7-16-6-3-4-9-19(16)37-25(26)27/h3-4,6,9-10,13,17-18,20,25,31H,2,5,7-8,11-12,14-15H2,1H3,(H,29,33)/t17-,18-,20+/m0/s1.

What are the key properties of (2S)-5-[2-(difluoromethoxy)phenyl]-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]pentanamide?

(2S)-5-[2-(difluoromethoxy)phenyl]-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]pentanamide has a molecular weight of 523.53 g/mol, XLogP of 2.21, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-5-[2-(difluoromethoxy)phenyl]-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]pentanamide is sourced from PubChem (CID 21025660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).