5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(1R)-1-(2,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide;hydrochloride

C26H27ClF4N4O5 — CID 141414191

About 5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(1R)-1-(2,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide;hydrochloride

5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(1R)-1-(2,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide;hydrochloride (PubChem CID 141414191) has the molecular formula C26H27ClF4N4O5 and a molecular weight of 586.97 g/mol. Its IUPAC name is 5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(1R)-1-(2,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(1R)-1-(2,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide;hydrochloride
• PubChem CID: 141414191
• Molecular Formula: C26H27ClF4N4O5
• Molecular Weight: 586.97 g/mol
• Exact Mass: 586.16
• IUPAC Name: 5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(1R)-1-(2,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide;hydrochloride
• SMILES: CNC(=O)[C@H](NC(=O)c1nc(-c2ccc(OC(F)F)c(OCC3CC3)c2)oc1[C@H](C)N)c1ccc(F)cc1F.Cl
• InChI: InChI=1S/C26H26F4N4O5.ClH/c1-12(31)22-21(24(36)33-20(23(35)32-2)16-7-6-15(27)10-17(16)28)34-25(39-22)14-5-8-18(38-26(29)30)19(9-14)37-11-13-3-4-13;/h5-10,12-13,20,26H,3-4,11,31H2,1-2H3,(H,32,35)(H,33,36);1H/t12-,20+;/m0./s1
• InChIKey: UATAYFBRTXKMJJ-XVHUJMMASA-N
• XLogP: 4.67
• TPSA: 128.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	586.97
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(1R)-1-(2,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide;hydrochloride?

The IUPAC name of 5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(1R)-1-(2,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide;hydrochloride (CID 141414191) is 5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(1R)-1-(2,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide;hydrochloride.

What is the SMILES notation for 5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(1R)-1-(2,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide;hydrochloride?

The canonical SMILES for 5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(1R)-1-(2,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide;hydrochloride is CNC(=O)[C@H](NC(=O)c1nc(-c2ccc(OC(F)F)c(OCC3CC3)c2)oc1[C@H](C)N)c1ccc(F)cc1F.Cl.

What is the InChIKey of 5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(1R)-1-(2,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide;hydrochloride?

The InChIKey is UATAYFBRTXKMJJ-XVHUJMMASA-N. The full InChI is InChI=1S/C26H26F4N4O5.ClH/c1-12(31)22-21(24(36)33-20(23(35)32-2)16-7-6-15(27)10-17(16)28)34-25(39-22)14-5-8-18(38-26(29)30)19(9-14)37-11-13-3-4-13;/h5-10,12-13,20,26H,3-4,11,31H2,1-2H3,(H,32,35)(H,33,36);1H/t12-,20+;/m0./s1.

What are the key properties of 5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(1R)-1-(2,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide;hydrochloride?

5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(1R)-1-(2,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide;hydrochloride has a molecular weight of 586.97 g/mol, XLogP of 4.67, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(1R)-1-(2,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 141414191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).