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

C34H26F3N5O5 — CID 25151850

IUPAC4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[(5S)-2-oxo-3-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-1,3-oxazolidin-5-yl]methyl]benzamide
SMILESCC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NC[C@H]4CN(c5ccc(-c6ccccc6OC(F)(F)F)cn5)C(=O)O4)cc3)oc12
InChIInChI=1S/C34H26F3N5O5/c1-19(2)26-13-20(15-38)14-27-30(26)46-32(41-27)22-9-7-21(8-10-22)31(43)40-17-24-18-42(33(44)45-24)29-12-11-23(16-39-29)25-5-3-4-6-28(25)47-34(35,36)37/h3-14,16,19,24H,17-18H2,1-2H3,(H,40,43)/t24-/m0/s1
InChIKeyVIKKXFYHSNSWKV-DEOSSOPVSA-N
MW641.61 g/mol
LogP7.21
Rot. Bonds8

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

4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[(5S)-2-oxo-3-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-1,3-oxazolidin-5-yl]methyl]benzamide (PubChem CID 25151850) has the molecular formula C34H26F3N5O5 and a molecular weight of 641.61 g/mol. Its IUPAC name is 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[(5S)-2-oxo-3-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-1,3-oxazolidin-5-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[(5S)-2-oxo-3-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-1,3-oxazolidin-5-yl]methyl]benzamide
PubChem CID25151850
Molecular FormulaC34H26F3N5O5
Molecular Weight641.61 g/mol
Exact Mass641.19
IUPAC Name4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[(5S)-2-oxo-3-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-1,3-oxazolidin-5-yl]methyl]benzamide
SMILESCC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NC[C@H]4CN(c5ccc(-c6ccccc6OC(F)(F)F)cn5)C(=O)O4)cc3)oc12
InChIInChI=1S/C34H26F3N5O5/c1-19(2)26-13-20(15-38)14-27-30(26)46-32(41-27)22-9-7-21(8-10-22)31(43)40-17-24-18-42(33(44)45-24)29-12-11-23(16-39-29)25-5-3-4-6-28(25)47-34(35,36)37/h3-14,16,19,24H,17-18H2,1-2H3,(H,40,43)/t24-/m0/s1
InChIKeyVIKKXFYHSNSWKV-DEOSSOPVSA-N
XLogP7.21
TPSA130.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.61
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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)-2-oxo-3-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-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)-2-oxo-3-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-1,3-oxazolidin-5-yl]methyl]benzamide (CID 25151850) is 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[(5S)-2-oxo-3-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-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)-2-oxo-3-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-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)-2-oxo-3-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-1,3-oxazolidin-5-yl]methyl]benzamide is CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NC[C@H]4CN(c5ccc(-c6ccccc6OC(F)(F)F)cn5)C(=O)O4)cc3)oc12.
What is the InChIKey of 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[(5S)-2-oxo-3-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-1,3-oxazolidin-5-yl]methyl]benzamide?
The InChIKey is VIKKXFYHSNSWKV-DEOSSOPVSA-N. The full InChI is InChI=1S/C34H26F3N5O5/c1-19(2)26-13-20(15-38)14-27-30(26)46-32(41-27)22-9-7-21(8-10-22)31(43)40-17-24-18-42(33(44)45-24)29-12-11-23(16-39-29)25-5-3-4-6-28(25)47-34(35,36)37/h3-14,16,19,24H,17-18H2,1-2H3,(H,40,43)/t24-/m0/s1.
What are the key properties of 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[(5S)-2-oxo-3-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-1,3-oxazolidin-5-yl]methyl]benzamide?
4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[(5S)-2-oxo-3-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-1,3-oxazolidin-5-yl]methyl]benzamide has a molecular weight of 641.61 g/mol, XLogP of 7.21, 8 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)-2-oxo-3-[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-1,3-oxazolidin-5-yl]methyl]benzamide is sourced from PubChem (CID 25151850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).