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

C24H30FN5O4 — CID 123372092

IUPAC2-fluoro-N-(oxan-4-yl)-4-[1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]benzamide
SMILESCC(Nc1nccc(N2C(=O)OCC2C(C)C)n1)c1ccc(C(=O)NC2CCOCC2)c(F)c1
InChIInChI=1S/C24H30FN5O4/c1-14(2)20-13-34-24(32)30(20)21-6-9-26-23(29-21)27-15(3)16-4-5-18(19(25)12-16)22(31)28-17-7-10-33-11-8-17/h4-6,9,12,14-15,17,20H,7-8,10-11,13H2,1-3H3,(H,28,31)(H,26,27,29)
InChIKeyFRXCQNVEIICSBN-UHFFFAOYSA-N
MW471.53 g/mol
LogP3.68
Rot. Bonds7

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

2-fluoro-N-(oxan-4-yl)-4-[1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]benzamide (PubChem CID 123372092) has the molecular formula C24H30FN5O4 and a molecular weight of 471.53 g/mol. Its IUPAC name is 2-fluoro-N-(oxan-4-yl)-4-[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-(oxan-4-yl)-4-[1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]benzamide
PubChem CID123372092
Molecular FormulaC24H30FN5O4
Molecular Weight471.53 g/mol
Exact Mass471.23
IUPAC Name2-fluoro-N-(oxan-4-yl)-4-[1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]benzamide
SMILESCC(Nc1nccc(N2C(=O)OCC2C(C)C)n1)c1ccc(C(=O)NC2CCOCC2)c(F)c1
InChIInChI=1S/C24H30FN5O4/c1-14(2)20-13-34-24(32)30(20)21-6-9-26-23(29-21)27-15(3)16-4-5-18(19(25)12-16)22(31)28-17-7-10-33-11-8-17/h4-6,9,12,14-15,17,20H,7-8,10-11,13H2,1-3H3,(H,28,31)(H,26,27,29)
InChIKeyFRXCQNVEIICSBN-UHFFFAOYSA-N
XLogP3.68
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

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CID 25016226
4-[4-Amino-5-(2-fluorobenzoyl)pyrimidin-2-ylamino]piperidine-1-carboxylic acid ethyl ester
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(4s)-3-(2-{[(1s)-1-Phenylethyl]amino}pyrimidin-4-Yl)-4-(Propan-2-Yl)-1,3-Oxazolidin-2-One
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6-(2,4-Difluorobenzyl)-8-methyl-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 20626917
6-(2-Fluorobenzyl)-8-methyl-2-(tetrahydro-2h-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8h)-one
CID 23434654
(S)-N-ethyl-4-fluoro-3-methyl-N-(2-(1-phenylethylamino)pyrimidin-4-yl)benzamide
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(S)-N-ethyl-N-(2-(1-phenylethylamino)pyrimidin-4-yl)benzamide
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Mutant IDH1-IN-2
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Mutant IDH1 inhibitor
CID 71542482
(4S)-4-propan-2-yl-3-[2-[[(1S)-1-(4-pyridin-2-ylphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
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(4S)-3-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(oxan-4-yl)-4-[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-(oxan-4-yl)-4-[1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]benzamide (CID 123372092) is 2-fluoro-N-(oxan-4-yl)-4-[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-(oxan-4-yl)-4-[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-(oxan-4-yl)-4-[1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]benzamide is CC(Nc1nccc(N2C(=O)OCC2C(C)C)n1)c1ccc(C(=O)NC2CCOCC2)c(F)c1.
What is the InChIKey of 2-fluoro-N-(oxan-4-yl)-4-[1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]benzamide?
The InChIKey is FRXCQNVEIICSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O4/c1-14(2)20-13-34-24(32)30(20)21-6-9-26-23(29-21)27-15(3)16-4-5-18(19(25)12-16)22(31)28-17-7-10-33-11-8-17/h4-6,9,12,14-15,17,20H,7-8,10-11,13H2,1-3H3,(H,28,31)(H,26,27,29).
What are the key properties of 2-fluoro-N-(oxan-4-yl)-4-[1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]benzamide?
2-fluoro-N-(oxan-4-yl)-4-[1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]benzamide has a molecular weight of 471.53 g/mol, XLogP of 3.68, 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-[1-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]benzamide is sourced from PubChem (CID 123372092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).