5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(R)-(2,4-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride

C25H25Cl2F4N7O4 — CID 141414190

About 5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(R)-(2,4-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride

5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(R)-(2,4-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride (PubChem CID 141414190) has the molecular formula C25H25Cl2F4N7O4 and a molecular weight of 634.42 g/mol. Its IUPAC name is 5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(R)-(2,4-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: 5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(R)-(2,4-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride
• PubChem CID: 141414190
• Molecular Formula: C25H25Cl2F4N7O4
• Molecular Weight: 634.42 g/mol
• Exact Mass: 633.13
• IUPAC Name: 5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(R)-(2,4-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride
• SMILES: C[C@H](N)c1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)N[C@@H](c1nn[nH]n1)c1ccc(F)cc1F.Cl.Cl
• InChI: InChI=1S/C25H23F4N7O4.2ClH/c1-11(30)21-20(23(37)31-19(22-33-35-36-34-22)15-6-5-14(26)9-16(15)27)32-24(40-21)13-4-7-17(39-25(28)29)18(8-13)38-10-12-2-3-12;;/h4-9,11-12,19,25H,2-3,10,30H2,1H3,(H,31,37)(H,33,34,35,36);2*1H/t11-,19+;;/m0../s1
• InChIKey: SKNDLNSMGODNNB-XPWQSGHLSA-N
• XLogP: 4.91
• TPSA: 154.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	634.42
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(R)-(2,4-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride?

The IUPAC name of 5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(R)-(2,4-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride (CID 141414190) is 5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(R)-(2,4-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride.

What is the SMILES notation for 5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(R)-(2,4-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride?

The canonical SMILES for 5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(R)-(2,4-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride is C[C@H](N)c1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)N[C@@H](c1nn[nH]n1)c1ccc(F)cc1F.Cl.Cl.

What is the InChIKey of 5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(R)-(2,4-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride?

The InChIKey is SKNDLNSMGODNNB-XPWQSGHLSA-N. The full InChI is InChI=1S/C25H23F4N7O4.2ClH/c1-11(30)21-20(23(37)31-19(22-33-35-36-34-22)15-6-5-14(26)9-16(15)27)32-24(40-21)13-4-7-17(39-25(28)29)18(8-13)38-10-12-2-3-12;;/h4-9,11-12,19,25H,2-3,10,30H2,1H3,(H,31,37)(H,33,34,35,36);2*1H/t11-,19+;;/m0../s1.

What are the key properties of 5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(R)-(2,4-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride?

5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(R)-(2,4-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride has a molecular weight of 634.42 g/mol, XLogP of 4.91, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(R)-(2,4-difluorophenyl)-(2H-tetrazol-5-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 141414190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).