2-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methyl]-5-methylpyridine-2,5-dicarboxylic acid

C30H35F2N3O9 — CID 175162059

About 2-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methyl]-5-methylpyridine-2,5-dicarboxylic acid

2-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methyl]-5-methylpyridine-2,5-dicarboxylic acid (PubChem CID 175162059) has the molecular formula C30H35F2N3O9 and a molecular weight of 619.62 g/mol. Its IUPAC name is 2-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methyl]-5-methylpyridine-2,5-dicarboxylic acid.

Molecular Properties

• Compound Name: 2-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methyl]-5-methylpyridine-2,5-dicarboxylic acid
• PubChem CID: 175162059
• Molecular Formula: C30H35F2N3O9
• Molecular Weight: 619.62 g/mol
• Exact Mass: 619.23
• IUPAC Name: 2-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methyl]-5-methylpyridine-2,5-dicarboxylic acid
• SMILES: CC(NC(=O)OC(C)(C)C)c1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1CC1(C(=O)O)C=CC(C)(C(=O)O)C=N1
• InChI: InChI=1S/C30H35F2N3O9/c1-16(34-27(40)44-28(2,3)4)22-19(13-30(25(38)39)11-10-29(5,15-33-30)24(36)37)35-23(43-22)18-8-9-20(42-26(31)32)21(12-18)41-14-17-6-7-17/h8-12,15-17,26H,6-7,13-14H2,1-5H3,(H,34,40)(H,36,37)(H,38,39)
• InChIKey: QLGMFHIATAULMR-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 169.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.62
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methyl]-5-methylpyridine-2,5-dicarboxylic acid?

The IUPAC name of 2-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methyl]-5-methylpyridine-2,5-dicarboxylic acid (CID 175162059) is 2-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methyl]-5-methylpyridine-2,5-dicarboxylic acid.

What is the SMILES notation for 2-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methyl]-5-methylpyridine-2,5-dicarboxylic acid?

The canonical SMILES for 2-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methyl]-5-methylpyridine-2,5-dicarboxylic acid is CC(NC(=O)OC(C)(C)C)c1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1CC1(C(=O)O)C=CC(C)(C(=O)O)C=N1.

What is the InChIKey of 2-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methyl]-5-methylpyridine-2,5-dicarboxylic acid?

The InChIKey is QLGMFHIATAULMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F2N3O9/c1-16(34-27(40)44-28(2,3)4)22-19(13-30(25(38)39)11-10-29(5,15-33-30)24(36)37)35-23(43-22)18-8-9-20(42-26(31)32)21(12-18)41-14-17-6-7-17/h8-12,15-17,26H,6-7,13-14H2,1-5H3,(H,34,40)(H,36,37)(H,38,39).

What are the key properties of 2-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methyl]-5-methylpyridine-2,5-dicarboxylic acid?

2-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methyl]-5-methylpyridine-2,5-dicarboxylic acid has a molecular weight of 619.62 g/mol, XLogP of 5.41, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methyl]-5-methylpyridine-2,5-dicarboxylic acid is sourced from PubChem (CID 175162059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).