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

C32H27N5O4S — CID 25153282

IUPAC4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[3-[5-(5-methylthiophen-2-yl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
SMILESCc1ccc(-c2ccc(N3CC(CNC(=O)c4ccc(-c5nc6cc(C#N)cc(C(C)C)c6o5)cc4)OC3=O)nc2)s1
InChIInChI=1S/C32H27N5O4S/c1-18(2)25-12-20(14-33)13-26-29(25)41-31(36-26)22-7-5-21(6-8-22)30(38)35-16-24-17-37(32(39)40-24)28-11-9-23(15-34-28)27-10-4-19(3)42-27/h4-13,15,18,24H,16-17H2,1-3H3,(H,35,38)
InChIKeyIZBGYRCJSTWJCI-UHFFFAOYSA-N
MW577.67 g/mol
LogP6.68
Rot. Bonds7

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

4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[3-[5-(5-methylthiophen-2-yl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide (PubChem CID 25153282) has the molecular formula C32H27N5O4S and a molecular weight of 577.67 g/mol. Its IUPAC name is 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[3-[5-(5-methylthiophen-2-yl)-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-[[3-[5-(5-methylthiophen-2-yl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
PubChem CID25153282
Molecular FormulaC32H27N5O4S
Molecular Weight577.67 g/mol
Exact Mass577.18
IUPAC Name4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[3-[5-(5-methylthiophen-2-yl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
SMILESCc1ccc(-c2ccc(N3CC(CNC(=O)c4ccc(-c5nc6cc(C#N)cc(C(C)C)c6o5)cc4)OC3=O)nc2)s1
InChIInChI=1S/C32H27N5O4S/c1-18(2)25-12-20(14-33)13-26-29(25)41-31(36-26)22-7-5-21(6-8-22)30(38)35-16-24-17-37(32(39)40-24)28-11-9-23(15-34-28)27-10-4-19(3)42-27/h4-13,15,18,24H,16-17H2,1-3H3,(H,35,38)
InChIKeyIZBGYRCJSTWJCI-UHFFFAOYSA-N
XLogP6.68
TPSA121.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.67
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[3-[5-(5-methylthiophen-2-yl)-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-[[3-[5-(5-methylthiophen-2-yl)-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-[[3-[5-(5-methylthiophen-2-yl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide (CID 25153282) is 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[3-[5-(5-methylthiophen-2-yl)-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-[[3-[5-(5-methylthiophen-2-yl)-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-[[3-[5-(5-methylthiophen-2-yl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide is Cc1ccc(-c2ccc(N3CC(CNC(=O)c4ccc(-c5nc6cc(C#N)cc(C(C)C)c6o5)cc4)OC3=O)nc2)s1.
What is the InChIKey of 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[3-[5-(5-methylthiophen-2-yl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
The InChIKey is IZBGYRCJSTWJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N5O4S/c1-18(2)25-12-20(14-33)13-26-29(25)41-31(36-26)22-7-5-21(6-8-22)30(38)35-16-24-17-37(32(39)40-24)28-11-9-23(15-34-28)27-10-4-19(3)42-27/h4-13,15,18,24H,16-17H2,1-3H3,(H,35,38).
What are the key properties of 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[3-[5-(5-methylthiophen-2-yl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[3-[5-(5-methylthiophen-2-yl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide has a molecular weight of 577.67 g/mol, XLogP of 6.68, 7 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-[[3-[5-(5-methylthiophen-2-yl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide is sourced from PubChem (CID 25153282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).