propyl 6-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate

C32H38F2N4O8 — CID 175497819

About propyl 6-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate

propyl 6-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate (PubChem CID 175497819) has the molecular formula C32H38F2N4O8 and a molecular weight of 644.67 g/mol. Its IUPAC name is propyl 6-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: propyl 6-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate
• PubChem CID: 175497819
• Molecular Formula: C32H38F2N4O8
• Molecular Weight: 644.67 g/mol
• Exact Mass: 644.27
• IUPAC Name: propyl 6-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate
• SMILES: CCCOC(=O)c1cccc(C(=O)NCc2nc(-c3ccc(OC(F)F)c(OCC4CC4)c3)oc2C(C)NC(=O)OC(C)(C)C)n1
• InChI: InChI=1S/C32H38F2N4O8/c1-6-14-42-29(40)22-9-7-8-21(37-22)27(39)35-16-23-26(18(2)36-31(41)46-32(3,4)5)45-28(38-23)20-12-13-24(44-30(33)34)25(15-20)43-17-19-10-11-19/h7-9,12-13,15,18-19,30H,6,10-11,14,16-17H2,1-5H3,(H,35,39)(H,36,41)
• InChIKey: SASXJABZYXNJKG-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 151.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	644.67
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of propyl 6-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate?

The IUPAC name of propyl 6-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate (CID 175497819) is propyl 6-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate.

What is the SMILES notation for propyl 6-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate?

The canonical SMILES for propyl 6-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate is CCCOC(=O)c1cccc(C(=O)NCc2nc(-c3ccc(OC(F)F)c(OCC4CC4)c3)oc2C(C)NC(=O)OC(C)(C)C)n1.

What is the InChIKey of propyl 6-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate?

The InChIKey is SASXJABZYXNJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38F2N4O8/c1-6-14-42-29(40)22-9-7-8-21(37-22)27(39)35-16-23-26(18(2)36-31(41)46-32(3,4)5)45-28(38-23)20-12-13-24(44-30(33)34)25(15-20)43-17-19-10-11-19/h7-9,12-13,15,18-19,30H,6,10-11,14,16-17H2,1-5H3,(H,35,39)(H,36,41).

What are the key properties of propyl 6-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate?

propyl 6-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate has a molecular weight of 644.67 g/mol, XLogP of 6.21, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for propyl 6-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 175497819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).