N-[4-[(1R,2R)-2-hydroxycyclohexyl]oxyphenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide

C22H24N2O5 — CID 99809239

IUPACN-[4-[(1R,2R)-2-hydroxycyclohexyl]oxyphenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
SMILESO=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C22H24N2O5/c25-19-3-1-2-4-20(19)29-18-11-7-16(8-12-18)23-21(26)15-5-9-17(10-6-15)24-13-14-28-22(24)27/h5-12,19-20,25H,1-4,13-14H2,(H,23,26)/t19-,20-/m1/s1
InChIKeyBJRJOUARFNSQNH-WOJBJXKFSA-N
MW396.44 g/mol
LogP3.58
Rot. Bonds5

About N-[4-[(1R,2R)-2-hydroxycyclohexyl]oxyphenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide

N-[4-[(1R,2R)-2-hydroxycyclohexyl]oxyphenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide (PubChem CID 99809239) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[4-[(1R,2R)-2-hydroxycyclohexyl]oxyphenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide.

Molecular Properties

Compound NameN-[4-[(1R,2R)-2-hydroxycyclohexyl]oxyphenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
PubChem CID99809239
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC NameN-[4-[(1R,2R)-2-hydroxycyclohexyl]oxyphenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
SMILESO=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C22H24N2O5/c25-19-3-1-2-4-20(19)29-18-11-7-16(8-12-18)23-21(26)15-5-9-17(10-6-15)24-13-14-28-22(24)27/h5-12,19-20,25H,1-4,13-14H2,(H,23,26)/t19-,20-/m1/s1
InChIKeyBJRJOUARFNSQNH-WOJBJXKFSA-N
XLogP3.58
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[(1R,2R)-2-hydroxycyclohexyl]oxyphenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide with MolForge

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Related Compounds

N-(4-cyclopropylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 123386905
N-[4-(difluoromethoxy)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 46460027
N-[4-[[4-(2-hydroxycyclohexyl)oxyphenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 86974264
1-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]pyrrole-2-carboxamide
CID 110007275
3,4-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzamide
CID 110363407
5-[[4-(2-hydroxycyclohexyl)oxyphenyl]carbamoyl]pyridine-2-carboxylic acid
CID 120515766
6-(azepan-1-yl)-N-[4-[(1R,2S)-2-hydroxycyclohexyl]oxyphenyl]pyridine-3-carboxamide
CID 99809452
N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110618989
N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride
CID 118483829
2-(4-methylphenoxy)-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide
CID 110363436
4-cyclopentyloxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide
CID 55934364
N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2,5-dimethylfuran-3-carboxamide
CID 111428790

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R,2R)-2-hydroxycyclohexyl]oxyphenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The IUPAC name of N-[4-[(1R,2R)-2-hydroxycyclohexyl]oxyphenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide (CID 99809239) is N-[4-[(1R,2R)-2-hydroxycyclohexyl]oxyphenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide.
What is the SMILES notation for N-[4-[(1R,2R)-2-hydroxycyclohexyl]oxyphenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The canonical SMILES for N-[4-[(1R,2R)-2-hydroxycyclohexyl]oxyphenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide is O=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc(N2CCOC2=O)cc1.
What is the InChIKey of N-[4-[(1R,2R)-2-hydroxycyclohexyl]oxyphenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The InChIKey is BJRJOUARFNSQNH-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H24N2O5/c25-19-3-1-2-4-20(19)29-18-11-7-16(8-12-18)23-21(26)15-5-9-17(10-6-15)24-13-14-28-22(24)27/h5-12,19-20,25H,1-4,13-14H2,(H,23,26)/t19-,20-/m1/s1.
What are the key properties of N-[4-[(1R,2R)-2-hydroxycyclohexyl]oxyphenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
N-[4-[(1R,2R)-2-hydroxycyclohexyl]oxyphenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide has a molecular weight of 396.44 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R,2R)-2-hydroxycyclohexyl]oxyphenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide is sourced from PubChem (CID 99809239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).