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

C37H35N5O5 — CID 25152653

IUPAC4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[3-[5-(5-methyl-2-propan-2-yloxyphenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
SMILESCc1ccc(OC(C)C)c(-c2ccc(N3CC(CNC(=O)c4ccc(-c5nc6cc(C#N)cc(C(C)C)c6o5)cc4)OC3=O)nc2)c1
InChIInChI=1S/C37H35N5O5/c1-21(2)29-15-24(17-38)16-31-34(29)47-36(41-31)26-9-7-25(8-10-26)35(43)40-19-28-20-42(37(44)46-28)33-13-11-27(18-39-33)30-14-23(5)6-12-32(30)45-22(3)4/h6-16,18,21-22,28H,19-20H2,1-5H3,(H,40,43)
InChIKeyVIVUSGQIOHHEHH-UHFFFAOYSA-N
MW629.72 g/mol
LogP7.40
Rot. Bonds9

About 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[3-[5-(5-methyl-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-[[3-[5-(5-methyl-2-propan-2-yloxyphenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide (PubChem CID 25152653) has the molecular formula C37H35N5O5 and a molecular weight of 629.72 g/mol. Its IUPAC name is 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[3-[5-(5-methyl-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-[[3-[5-(5-methyl-2-propan-2-yloxyphenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
PubChem CID25152653
Molecular FormulaC37H35N5O5
Molecular Weight629.72 g/mol
Exact Mass629.26
IUPAC Name4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[3-[5-(5-methyl-2-propan-2-yloxyphenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
SMILESCc1ccc(OC(C)C)c(-c2ccc(N3CC(CNC(=O)c4ccc(-c5nc6cc(C#N)cc(C(C)C)c6o5)cc4)OC3=O)nc2)c1
InChIInChI=1S/C37H35N5O5/c1-21(2)29-15-24(17-38)16-31-34(29)47-36(41-31)26-9-7-25(8-10-26)35(43)40-19-28-20-42(37(44)46-28)33-13-11-27(18-39-33)30-14-23(5)6-12-32(30)45-22(3)4/h6-16,18,21-22,28H,19-20H2,1-5H3,(H,40,43)
InChIKeyVIVUSGQIOHHEHH-UHFFFAOYSA-N
XLogP7.40
TPSA130.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.72
LogP ≤ 57.40
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-methyl-2-propan-2-yloxyphenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-methyl-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-[[3-[5-(5-methyl-2-propan-2-yloxyphenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide (CID 25152653) is 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[3-[5-(5-methyl-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-[[3-[5-(5-methyl-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-[[3-[5-(5-methyl-2-propan-2-yloxyphenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide is Cc1ccc(OC(C)C)c(-c2ccc(N3CC(CNC(=O)c4ccc(-c5nc6cc(C#N)cc(C(C)C)c6o5)cc4)OC3=O)nc2)c1.
What is the InChIKey of 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[3-[5-(5-methyl-2-propan-2-yloxyphenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
The InChIKey is VIVUSGQIOHHEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35N5O5/c1-21(2)29-15-24(17-38)16-31-34(29)47-36(41-31)26-9-7-25(8-10-26)35(43)40-19-28-20-42(37(44)46-28)33-13-11-27(18-39-33)30-14-23(5)6-12-32(30)45-22(3)4/h6-16,18,21-22,28H,19-20H2,1-5H3,(H,40,43).
What are the key properties of 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[3-[5-(5-methyl-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-[[3-[5-(5-methyl-2-propan-2-yloxyphenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide has a molecular weight of 629.72 g/mol, XLogP of 7.40, 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-[[3-[5-(5-methyl-2-propan-2-yloxyphenyl)-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide is sourced from PubChem (CID 25152653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).