2-fluoro-N-(oxan-4-yl)-4-[[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide

C23H28FN5O4 — CID 130285412

IUPAC2-fluoro-N-(oxan-4-yl)-4-[[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide
SMILESCC(C)C1COC(=O)N1c1ccnc(NCc2ccc(C(=O)NC3CCOCC3)c(F)c2)n1
InChIInChI=1S/C23H28FN5O4/c1-14(2)19-13-33-23(31)29(19)20-5-8-25-22(28-20)26-12-15-3-4-17(18(24)11-15)21(30)27-16-6-9-32-10-7-16/h3-5,8,11,14,16,19H,6-7,9-10,12-13H2,1-2H3,(H,27,30)(H,25,26,28)
InChIKeySRXVTONLNGQUKF-UHFFFAOYSA-N
MW457.51 g/mol
LogP3.12
Rot. Bonds7

About 2-fluoro-N-(oxan-4-yl)-4-[[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide

2-fluoro-N-(oxan-4-yl)-4-[[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide (PubChem CID 130285412) has the molecular formula C23H28FN5O4 and a molecular weight of 457.51 g/mol. Its IUPAC name is 2-fluoro-N-(oxan-4-yl)-4-[[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(oxan-4-yl)-4-[[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide
PubChem CID130285412
Molecular FormulaC23H28FN5O4
Molecular Weight457.51 g/mol
Exact Mass457.21
IUPAC Name2-fluoro-N-(oxan-4-yl)-4-[[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide
SMILESCC(C)C1COC(=O)N1c1ccnc(NCc2ccc(C(=O)NC3CCOCC3)c(F)c2)n1
InChIInChI=1S/C23H28FN5O4/c1-14(2)19-13-33-23(31)29(19)20-5-8-25-22(28-20)26-12-15-3-4-17(18(24)11-15)21(30)27-16-6-9-32-10-7-16/h3-5,8,11,14,16,19H,6-7,9-10,12-13H2,1-2H3,(H,27,30)(H,25,26,28)
InChIKeySRXVTONLNGQUKF-UHFFFAOYSA-N
XLogP3.12
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-fluoro-N-(oxan-4-yl)-4-[[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]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 2-fluoro-N-(oxan-4-yl)-4-[[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide?
The IUPAC name of 2-fluoro-N-(oxan-4-yl)-4-[[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide (CID 130285412) is 2-fluoro-N-(oxan-4-yl)-4-[[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-(oxan-4-yl)-4-[[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide?
The canonical SMILES for 2-fluoro-N-(oxan-4-yl)-4-[[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide is CC(C)C1COC(=O)N1c1ccnc(NCc2ccc(C(=O)NC3CCOCC3)c(F)c2)n1.
What is the InChIKey of 2-fluoro-N-(oxan-4-yl)-4-[[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide?
The InChIKey is SRXVTONLNGQUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O4/c1-14(2)19-13-33-23(31)29(19)20-5-8-25-22(28-20)26-12-15-3-4-17(18(24)11-15)21(30)27-16-6-9-32-10-7-16/h3-5,8,11,14,16,19H,6-7,9-10,12-13H2,1-2H3,(H,27,30)(H,25,26,28).
What are the key properties of 2-fluoro-N-(oxan-4-yl)-4-[[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide?
2-fluoro-N-(oxan-4-yl)-4-[[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide has a molecular weight of 457.51 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(oxan-4-yl)-4-[[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide is sourced from PubChem (CID 130285412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).