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

C25H32FN5O4 — CID 71542093

IUPAC2-fluoro-N-(4-hydroxycyclohexyl)-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(O)CC3)c(F)c2)n1
InChIInChI=1S/C25H32FN5O4/c1-14(2)21-13-35-25(34)31(21)22-10-11-27-24(30-22)28-15(3)16-4-9-19(20(26)12-16)23(33)29-17-5-7-18(32)8-6-17/h4,9-12,14-15,17-18,21,32H,5-8,13H2,1-3H3,(H,29,33)(H,27,28,30)/t15-,17?,18?,21+/m0/s1
InChIKeySVKZPLRWJXWQQI-AVMKSMHYSA-N
MW485.56 g/mol
LogP3.80
Rot. Bonds7

About 2-fluoro-N-(4-hydroxycyclohexyl)-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-hydroxycyclohexyl)-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide (PubChem CID 71542093) has the molecular formula C25H32FN5O4 and a molecular weight of 485.56 g/mol. Its IUPAC name is 2-fluoro-N-(4-hydroxycyclohexyl)-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-hydroxycyclohexyl)-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide
PubChem CID71542093
Molecular FormulaC25H32FN5O4
Molecular Weight485.56 g/mol
Exact Mass485.24
IUPAC Name2-fluoro-N-(4-hydroxycyclohexyl)-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(O)CC3)c(F)c2)n1
InChIInChI=1S/C25H32FN5O4/c1-14(2)21-13-35-25(34)31(21)22-10-11-27-24(30-22)28-15(3)16-4-9-19(20(26)12-16)23(33)29-17-5-7-18(32)8-6-17/h4,9-12,14-15,17-18,21,32H,5-8,13H2,1-3H3,(H,29,33)(H,27,28,30)/t15-,17?,18?,21+/m0/s1
InChIKeySVKZPLRWJXWQQI-AVMKSMHYSA-N
XLogP3.80
TPSA116.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-fluoro-N-(4-hydroxycyclohexyl)-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]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-(4-hydroxycyclohexyl)-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-hydroxycyclohexyl)-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide (CID 71542093) is 2-fluoro-N-(4-hydroxycyclohexyl)-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-hydroxycyclohexyl)-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-hydroxycyclohexyl)-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(O)CC3)c(F)c2)n1.
What is the InChIKey of 2-fluoro-N-(4-hydroxycyclohexyl)-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 SVKZPLRWJXWQQI-AVMKSMHYSA-N. The full InChI is InChI=1S/C25H32FN5O4/c1-14(2)21-13-35-25(34)31(21)22-10-11-27-24(30-22)28-15(3)16-4-9-19(20(26)12-16)23(33)29-17-5-7-18(32)8-6-17/h4,9-12,14-15,17-18,21,32H,5-8,13H2,1-3H3,(H,29,33)(H,27,28,30)/t15-,17?,18?,21+/m0/s1.
What are the key properties of 2-fluoro-N-(4-hydroxycyclohexyl)-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-hydroxycyclohexyl)-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 485.56 g/mol, XLogP of 3.80, 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-hydroxycyclohexyl)-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 71542093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).