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

C26H34FN5O4 — CID 71543224

IUPAC2-fluoro-N-(4-hydroxy-4-methylcyclohexyl)-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCC(C)(O)CC3)c(F)c2)n1
InChIInChI=1S/C26H34FN5O4/c1-15(2)21-14-36-25(34)32(21)22-9-12-28-24(31-22)29-16(3)17-5-6-19(20(27)13-17)23(33)30-18-7-10-26(4,35)11-8-18/h5-6,9,12-13,15-16,18,21,35H,7-8,10-11,14H2,1-4H3,(H,30,33)(H,28,29,31)/t16-,18?,21+,26?/m0/s1
InChIKeyONXIZYRKUYBMHT-OTYBAMDLSA-N
MW499.59 g/mol
LogP4.19
Rot. Bonds7

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

2-fluoro-N-(4-hydroxy-4-methylcyclohexyl)-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide (PubChem CID 71543224) has the molecular formula C26H34FN5O4 and a molecular weight of 499.59 g/mol. Its IUPAC name is 2-fluoro-N-(4-hydroxy-4-methylcyclohexyl)-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-hydroxy-4-methylcyclohexyl)-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide
PubChem CID71543224
Molecular FormulaC26H34FN5O4
Molecular Weight499.59 g/mol
Exact Mass499.26
IUPAC Name2-fluoro-N-(4-hydroxy-4-methylcyclohexyl)-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCC(C)(O)CC3)c(F)c2)n1
InChIInChI=1S/C26H34FN5O4/c1-15(2)21-14-36-25(34)32(21)22-9-12-28-24(31-22)29-16(3)17-5-6-19(20(27)13-17)23(33)30-18-7-10-26(4,35)11-8-18/h5-6,9,12-13,15-16,18,21,35H,7-8,10-11,14H2,1-4H3,(H,30,33)(H,28,29,31)/t16-,18?,21+,26?/m0/s1
InChIKeyONXIZYRKUYBMHT-OTYBAMDLSA-N
XLogP4.19
TPSA116.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-hydroxy-4-methylcyclohexyl)-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-(4-hydroxy-4-methylcyclohexyl)-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide (CID 71543224) is 2-fluoro-N-(4-hydroxy-4-methylcyclohexyl)-4-[(1S)-1-[[4-[(4S)-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-(4-hydroxy-4-methylcyclohexyl)-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-(4-hydroxy-4-methylcyclohexyl)-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide is CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCC(C)(O)CC3)c(F)c2)n1.
What is the InChIKey of 2-fluoro-N-(4-hydroxy-4-methylcyclohexyl)-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide?
The InChIKey is ONXIZYRKUYBMHT-OTYBAMDLSA-N. The full InChI is InChI=1S/C26H34FN5O4/c1-15(2)21-14-36-25(34)32(21)22-9-12-28-24(31-22)29-16(3)17-5-6-19(20(27)13-17)23(33)30-18-7-10-26(4,35)11-8-18/h5-6,9,12-13,15-16,18,21,35H,7-8,10-11,14H2,1-4H3,(H,30,33)(H,28,29,31)/t16-,18?,21+,26?/m0/s1.
What are the key properties of 2-fluoro-N-(4-hydroxy-4-methylcyclohexyl)-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide?
2-fluoro-N-(4-hydroxy-4-methylcyclohexyl)-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide has a molecular weight of 499.59 g/mol, XLogP of 4.19, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-hydroxy-4-methylcyclohexyl)-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide is sourced from PubChem (CID 71543224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).