4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[(5S)-3-[5-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide

C36H32FN5O5 — CID 25150901

IUPAC4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[(5S)-3-[5-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
SMILESCC(C)Oc1ccc(F)cc1-c1ccc(N2C[C@H](CNC(=O)c3ccc(-c4nc5cc(C#N)cc(C(C)C)c5o4)cc3)OC2=O)nc1
InChIInChI=1S/C36H32FN5O5/c1-20(2)28-13-22(16-38)14-30-33(28)47-35(41-30)24-7-5-23(6-8-24)34(43)40-18-27-19-42(36(44)46-27)32-12-9-25(17-39-32)29-15-26(37)10-11-31(29)45-21(3)4/h5-15,17,20-21,27H,18-19H2,1-4H3,(H,40,43)/t27-/m0/s1
InChIKeySSTIZZITTNMWGI-MHZLTWQESA-N
MW633.68 g/mol
LogP7.23
Rot. Bonds9

About 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[(5S)-3-[5-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide

4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[(5S)-3-[5-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide (PubChem CID 25150901) has the molecular formula C36H32FN5O5 and a molecular weight of 633.68 g/mol. Its IUPAC name is 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[(5S)-3-[5-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[(5S)-3-[5-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
PubChem CID25150901
Molecular FormulaC36H32FN5O5
Molecular Weight633.68 g/mol
Exact Mass633.24
IUPAC Name4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[(5S)-3-[5-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
SMILESCC(C)Oc1ccc(F)cc1-c1ccc(N2C[C@H](CNC(=O)c3ccc(-c4nc5cc(C#N)cc(C(C)C)c5o4)cc3)OC2=O)nc1
InChIInChI=1S/C36H32FN5O5/c1-20(2)28-13-22(16-38)14-30-33(28)47-35(41-30)24-7-5-23(6-8-24)34(43)40-18-27-19-42(36(44)46-27)32-12-9-25(17-39-32)29-15-26(37)10-11-31(29)45-21(3)4/h5-15,17,20-21,27H,18-19H2,1-4H3,(H,40,43)/t27-/m0/s1
InChIKeySSTIZZITTNMWGI-MHZLTWQESA-N
XLogP7.23
TPSA130.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.68
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[(5S)-3-[5-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[(5S)-3-[5-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
The IUPAC name of 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[(5S)-3-[5-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide (CID 25150901) is 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[(5S)-3-[5-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide.
What is the SMILES notation for 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[(5S)-3-[5-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
The canonical SMILES for 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[(5S)-3-[5-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide is CC(C)Oc1ccc(F)cc1-c1ccc(N2C[C@H](CNC(=O)c3ccc(-c4nc5cc(C#N)cc(C(C)C)c5o4)cc3)OC2=O)nc1.
What is the InChIKey of 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[(5S)-3-[5-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
The InChIKey is SSTIZZITTNMWGI-MHZLTWQESA-N. The full InChI is InChI=1S/C36H32FN5O5/c1-20(2)28-13-22(16-38)14-30-33(28)47-35(41-30)24-7-5-23(6-8-24)34(43)40-18-27-19-42(36(44)46-27)32-12-9-25(17-39-32)29-15-26(37)10-11-31(29)45-21(3)4/h5-15,17,20-21,27H,18-19H2,1-4H3,(H,40,43)/t27-/m0/s1.
What are the key properties of 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[(5S)-3-[5-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[(5S)-3-[5-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide has a molecular weight of 633.68 g/mol, XLogP of 7.23, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[(5S)-3-[5-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide is sourced from PubChem (CID 25150901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).