N-cyclohexyl-2-fluoro-4-[(1S)-1-[[5-fluoro-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide

C25H31F2N5O3 — CID 71542095

IUPACN-cyclohexyl-2-fluoro-4-[(1S)-1-[[5-fluoro-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)N1c1nc(N[C@@H](C)c2ccc(C(=O)NC3CCCCC3)c(F)c2)ncc1F
InChIInChI=1S/C25H31F2N5O3/c1-14(2)21-13-35-25(34)32(21)22-20(27)12-28-24(31-22)29-15(3)16-9-10-18(19(26)11-16)23(33)30-17-7-5-4-6-8-17/h9-12,14-15,17,21H,4-8,13H2,1-3H3,(H,30,33)(H,28,29,31)/t15-,21+/m0/s1
InChIKeyYUNHKYILTJWSII-YCRPNKLZSA-N
MW487.55 g/mol
LogP4.97
Rot. Bonds7

About N-cyclohexyl-2-fluoro-4-[(1S)-1-[[5-fluoro-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide

N-cyclohexyl-2-fluoro-4-[(1S)-1-[[5-fluoro-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide (PubChem CID 71542095) has the molecular formula C25H31F2N5O3 and a molecular weight of 487.55 g/mol. Its IUPAC name is N-cyclohexyl-2-fluoro-4-[(1S)-1-[[5-fluoro-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-fluoro-4-[(1S)-1-[[5-fluoro-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide
PubChem CID71542095
Molecular FormulaC25H31F2N5O3
Molecular Weight487.55 g/mol
Exact Mass487.24
IUPAC NameN-cyclohexyl-2-fluoro-4-[(1S)-1-[[5-fluoro-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)N1c1nc(N[C@@H](C)c2ccc(C(=O)NC3CCCCC3)c(F)c2)ncc1F
InChIInChI=1S/C25H31F2N5O3/c1-14(2)21-13-35-25(34)32(21)22-20(27)12-28-24(31-22)29-15(3)16-9-10-18(19(26)11-16)23(33)30-17-7-5-4-6-8-17/h9-12,14-15,17,21H,4-8,13H2,1-3H3,(H,30,33)(H,28,29,31)/t15-,21+/m0/s1
InChIKeyYUNHKYILTJWSII-YCRPNKLZSA-N
XLogP4.97
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.55
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-2-fluoro-4-[(1S)-1-[[5-fluoro-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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Related Compounds

N-Cyclopropyl-4-Methyl-3-[8-Methyl-7-Oxo-2-(Tetrahydro-2h-Pyran-4-Ylamino)-7,8-Dihydropyrido[2,3-D]pyrimidin-6-Yl]benzamide
CID 25016226
4-[4-Amino-5-(2-fluorobenzoyl)pyrimidin-2-ylamino]piperidine-1-carboxylic acid ethyl ester
CID 10249602
(4s)-3-(2-{[(1s)-1-Phenylethyl]amino}pyrimidin-4-Yl)-4-(Propan-2-Yl)-1,3-Oxazolidin-2-One
CID 89490055
N-(cis-4-{[4-(Dimethylamino)-5-methylpyrimidin-2-yl]amino}-cyclohexyl)-3,4-difluorobenzamide
CID 9821717
N-[cis-4-(4-dimethylamino-5-methyl-pyrimidin-2-ylamino)-cyclohexylmethyl]-3,5-bistrifluoromethyl-benzamide
CID 15987265
6-(2,4-Difluorobenzyl)-8-methyl-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 20626917
N-((cis)-4-(4-(dimethylamino)-5-methylpyrimidin-2-ylamino)cyclohexyl)-4-methylbenzamide
CID 23027035
N-((cis)-4-(4-(dimethylamino)-5-methylpyrimidin-2-ylamino)cyclohexyl)-4-fluorobenzamide
CID 23027527
6-(2-Fluorobenzyl)-8-methyl-2-(tetrahydro-2h-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8h)-one
CID 23434654
N-((cis)-4-(4-(ethyl(methyl)amino)-5-methylpyrimidin-2-ylamino)cyclohexyl)-3,4-difluorobenzamide
CID 45484974
N-(((cis)-4-(4-(dimethylamino)-5-methylpyrimidin-2-ylamino)cyclohexyl)methyl)-3,4-difluorobenzamide
CID 45484995
N-(((cis)-4-(4-(dimethylamino)-5-methylpyrimidin-2-ylamino)cyclohexyl)methyl)-3-(trifluoromethyl)benzamide
CID 45485002

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-fluoro-4-[(1S)-1-[[5-fluoro-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide?
The IUPAC name of N-cyclohexyl-2-fluoro-4-[(1S)-1-[[5-fluoro-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide (CID 71542095) is N-cyclohexyl-2-fluoro-4-[(1S)-1-[[5-fluoro-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 N-cyclohexyl-2-fluoro-4-[(1S)-1-[[5-fluoro-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide?
The canonical SMILES for N-cyclohexyl-2-fluoro-4-[(1S)-1-[[5-fluoro-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)N1c1nc(N[C@@H](C)c2ccc(C(=O)NC3CCCCC3)c(F)c2)ncc1F.
What is the InChIKey of N-cyclohexyl-2-fluoro-4-[(1S)-1-[[5-fluoro-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide?
The InChIKey is YUNHKYILTJWSII-YCRPNKLZSA-N. The full InChI is InChI=1S/C25H31F2N5O3/c1-14(2)21-13-35-25(34)32(21)22-20(27)12-28-24(31-22)29-15(3)16-9-10-18(19(26)11-16)23(33)30-17-7-5-4-6-8-17/h9-12,14-15,17,21H,4-8,13H2,1-3H3,(H,30,33)(H,28,29,31)/t15-,21+/m0/s1.
What are the key properties of N-cyclohexyl-2-fluoro-4-[(1S)-1-[[5-fluoro-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide?
N-cyclohexyl-2-fluoro-4-[(1S)-1-[[5-fluoro-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide has a molecular weight of 487.55 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-fluoro-4-[(1S)-1-[[5-fluoro-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide is sourced from PubChem (CID 71542095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).