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

C24H30FN5O4 — CID 130285335

IUPAC2-fluoro-N-methyl-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)N(C)C3CCOCC3)c(F)c2)n1
InChIInChI=1S/C24H30FN5O4/c1-15(2)20-14-34-24(32)30(20)21-6-9-26-23(28-21)27-13-16-4-5-18(19(25)12-16)22(31)29(3)17-7-10-33-11-8-17/h4-6,9,12,15,17,20H,7-8,10-11,13-14H2,1-3H3,(H,26,27,28)
InChIKeyRBUKGMJMUVABDF-UHFFFAOYSA-N
MW471.53 g/mol
LogP3.46
Rot. Bonds7

About 2-fluoro-N-methyl-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-methyl-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 130285335) has the molecular formula C24H30FN5O4 and a molecular weight of 471.53 g/mol. Its IUPAC name is 2-fluoro-N-methyl-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-methyl-N-(oxan-4-yl)-4-[[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide
PubChem CID130285335
Molecular FormulaC24H30FN5O4
Molecular Weight471.53 g/mol
Exact Mass471.23
IUPAC Name2-fluoro-N-methyl-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)N(C)C3CCOCC3)c(F)c2)n1
InChIInChI=1S/C24H30FN5O4/c1-15(2)20-14-34-24(32)30(20)21-6-9-26-23(28-21)27-13-16-4-5-18(19(25)12-16)22(31)29(3)17-7-10-33-11-8-17/h4-6,9,12,15,17,20H,7-8,10-11,13-14H2,1-3H3,(H,26,27,28)
InChIKeyRBUKGMJMUVABDF-UHFFFAOYSA-N
XLogP3.46
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-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-methyl-N-(oxan-4-yl)-4-[[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide (CID 130285335) is 2-fluoro-N-methyl-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-methyl-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-methyl-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)N(C)C3CCOCC3)c(F)c2)n1.
What is the InChIKey of 2-fluoro-N-methyl-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 RBUKGMJMUVABDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O4/c1-15(2)20-14-34-24(32)30(20)21-6-9-26-23(28-21)27-13-16-4-5-18(19(25)12-16)22(31)29(3)17-7-10-33-11-8-17/h4-6,9,12,15,17,20H,7-8,10-11,13-14H2,1-3H3,(H,26,27,28).
What are the key properties of 2-fluoro-N-methyl-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-methyl-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 471.53 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-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 130285335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).