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

C30H34F2N4O8 — CID 175497796

IUPACmethyl 6-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)NCc2nc(-c3ccc(OC(F)F)c(OCC4CC4)c3)oc2[C@H](C)NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C30H34F2N4O8/c1-16(34-29(39)44-30(2,3)4)24-21(14-33-25(37)19-7-6-8-20(35-19)27(38)40-5)36-26(43-24)18-11-12-22(42-28(31)32)23(13-18)41-15-17-9-10-17/h6-8,11-13,16-17,28H,9-10,14-15H2,1-5H3,(H,33,37)(H,34,39)/t16-/m0/s1
InChIKeyMGDXATYYWZUBIP-INIZCTEOSA-N
MW616.62 g/mol
LogP5.43
Rot. Bonds12

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

methyl 6-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate (PubChem CID 175497796) has the molecular formula C30H34F2N4O8 and a molecular weight of 616.62 g/mol. Its IUPAC name is methyl 6-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate
PubChem CID175497796
Molecular FormulaC30H34F2N4O8
Molecular Weight616.62 g/mol
Exact Mass616.23
IUPAC Namemethyl 6-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)NCc2nc(-c3ccc(OC(F)F)c(OCC4CC4)c3)oc2[C@H](C)NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C30H34F2N4O8/c1-16(34-29(39)44-30(2,3)4)24-21(14-33-25(37)19-7-6-8-20(35-19)27(38)40-5)36-26(43-24)18-11-12-22(42-28(31)32)23(13-18)41-15-17-9-10-17/h6-8,11-13,16-17,28H,9-10,14-15H2,1-5H3,(H,33,37)(H,34,39)/t16-/m0/s1
InChIKeyMGDXATYYWZUBIP-INIZCTEOSA-N
XLogP5.43
TPSA151.11 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.62
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze methyl 6-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate (CID 175497796) is methyl 6-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)NCc2nc(-c3ccc(OC(F)F)c(OCC4CC4)c3)oc2[C@H](C)NC(=O)OC(C)(C)C)n1.
What is the InChIKey of methyl 6-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate?
The InChIKey is MGDXATYYWZUBIP-INIZCTEOSA-N. The full InChI is InChI=1S/C30H34F2N4O8/c1-16(34-29(39)44-30(2,3)4)24-21(14-33-25(37)19-7-6-8-20(35-19)27(38)40-5)36-26(43-24)18-11-12-22(42-28(31)32)23(13-18)41-15-17-9-10-17/h6-8,11-13,16-17,28H,9-10,14-15H2,1-5H3,(H,33,37)(H,34,39)/t16-/m0/s1.
What are the key properties of methyl 6-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate?
methyl 6-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate has a molecular weight of 616.62 g/mol, XLogP of 5.43, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 175497796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).