4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[(1S)-1-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide

C33H26F2N4O5 — CID 53379356

IUPAC4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[(1S)-1-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)N[C@@H](C)c4nc5cnccc5o4)c(OC)cc3C)c(F)c12
InChIInChI=1S/C33H26F2N4O5/c1-16-13-26(42-4)22(31(40)38-17(2)33-39-23-15-37-12-11-24(23)44-33)14-21(16)20-9-10-25-27(29(20)35)28(32(41)36-3)30(43-25)18-5-7-19(34)8-6-18/h5-15,17H,1-4H3,(H,36,41)(H,38,40)/t17-/m0/s1
InChIKeyKDLPZIZHSFYXNZ-KRWDZBQOSA-N
MW596.59 g/mol
LogP6.75
Rot. Bonds7

About 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[(1S)-1-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide

4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[(1S)-1-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 53379356) has the molecular formula C33H26F2N4O5 and a molecular weight of 596.59 g/mol. Its IUPAC name is 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[(1S)-1-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[(1S)-1-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
PubChem CID53379356
Molecular FormulaC33H26F2N4O5
Molecular Weight596.59 g/mol
Exact Mass596.19
IUPAC Name4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[(1S)-1-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)N[C@@H](C)c4nc5cnccc5o4)c(OC)cc3C)c(F)c12
InChIInChI=1S/C33H26F2N4O5/c1-16-13-26(42-4)22(31(40)38-17(2)33-39-23-15-37-12-11-24(23)44-33)14-21(16)20-9-10-25-27(29(20)35)28(32(41)36-3)30(43-25)18-5-7-19(34)8-6-18/h5-15,17H,1-4H3,(H,36,41)(H,38,40)/t17-/m0/s1
InChIKeyKDLPZIZHSFYXNZ-KRWDZBQOSA-N
XLogP6.75
TPSA119.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.59
LogP ≤ 56.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[(1S)-1-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[(1S)-1-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[(1S)-1-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide (CID 53379356) is 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[(1S)-1-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[(1S)-1-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[(1S)-1-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)N[C@@H](C)c4nc5cnccc5o4)c(OC)cc3C)c(F)c12.
What is the InChIKey of 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[(1S)-1-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide?
The InChIKey is KDLPZIZHSFYXNZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C33H26F2N4O5/c1-16-13-26(42-4)22(31(40)38-17(2)33-39-23-15-37-12-11-24(23)44-33)14-21(16)20-9-10-25-27(29(20)35)28(32(41)36-3)30(43-25)18-5-7-19(34)8-6-18/h5-15,17H,1-4H3,(H,36,41)(H,38,40)/t17-/m0/s1.
What are the key properties of 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[(1S)-1-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide?
4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[(1S)-1-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 596.59 g/mol, XLogP of 6.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[(1S)-1-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 53379356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).