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

C25H32FN5O4 — CID 130274153

IUPAC2-fluoro-N-methyl-N-(oxan-4-yl)-4-[(1S)-1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]benzamide
SMILESCC(C)C1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)N(C)C3CCOCC3)c(F)c2)n1
InChIInChI=1S/C25H32FN5O4/c1-15(2)21-14-35-25(33)31(21)22-7-10-27-24(29-22)28-16(3)17-5-6-19(20(26)13-17)23(32)30(4)18-8-11-34-12-9-18/h5-7,10,13,15-16,18,21H,8-9,11-12,14H2,1-4H3,(H,27,28,29)/t16-,21?/m0/s1
InChIKeyMQGKLBGKZOXEHX-BJQOMGFOSA-N
MW485.56 g/mol
LogP4.02
Rot. Bonds7

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

2-fluoro-N-methyl-N-(oxan-4-yl)-4-[(1S)-1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]benzamide (PubChem CID 130274153) has the molecular formula C25H32FN5O4 and a molecular weight of 485.56 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(oxan-4-yl)-4-[(1S)-1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(oxan-4-yl)-4-[(1S)-1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]benzamide
PubChem CID130274153
Molecular FormulaC25H32FN5O4
Molecular Weight485.56 g/mol
Exact Mass485.24
IUPAC Name2-fluoro-N-methyl-N-(oxan-4-yl)-4-[(1S)-1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]benzamide
SMILESCC(C)C1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)N(C)C3CCOCC3)c(F)c2)n1
InChIInChI=1S/C25H32FN5O4/c1-15(2)21-14-35-25(33)31(21)22-7-10-27-24(29-22)28-16(3)17-5-6-19(20(26)13-17)23(32)30(4)18-8-11-34-12-9-18/h5-7,10,13,15-16,18,21H,8-9,11-12,14H2,1-4H3,(H,27,28,29)/t16-,21?/m0/s1
InChIKeyMQGKLBGKZOXEHX-BJQOMGFOSA-N
XLogP4.02
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 54.02
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-[(1S)-1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-methyl-N-(oxan-4-yl)-4-[(1S)-1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]benzamide (CID 130274153) is 2-fluoro-N-methyl-N-(oxan-4-yl)-4-[(1S)-1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-(oxan-4-yl)-4-[(1S)-1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-methyl-N-(oxan-4-yl)-4-[(1S)-1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]benzamide is CC(C)C1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)N(C)C3CCOCC3)c(F)c2)n1.
What is the InChIKey of 2-fluoro-N-methyl-N-(oxan-4-yl)-4-[(1S)-1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]benzamide?
The InChIKey is MQGKLBGKZOXEHX-BJQOMGFOSA-N. The full InChI is InChI=1S/C25H32FN5O4/c1-15(2)21-14-35-25(33)31(21)22-7-10-27-24(29-22)28-16(3)17-5-6-19(20(26)13-17)23(32)30(4)18-8-11-34-12-9-18/h5-7,10,13,15-16,18,21H,8-9,11-12,14H2,1-4H3,(H,27,28,29)/t16-,21?/m0/s1.
What are the key properties of 2-fluoro-N-methyl-N-(oxan-4-yl)-4-[(1S)-1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]benzamide?
2-fluoro-N-methyl-N-(oxan-4-yl)-4-[(1S)-1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]benzamide has a molecular weight of 485.56 g/mol, XLogP of 4.02, 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-[(1S)-1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]benzamide is sourced from PubChem (CID 130274153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).