(4S)-4-[(4-hydroxyphenyl)methyl]-3-[(4R,5S)-5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one

C24H26N2O5 — CID 101010617

IUPAC(4S)-4-[(4-hydroxyphenyl)methyl]-3-[(4R,5S)-5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one
SMILESCc1cc(C)c(C2=NO[C@@H](C)[C@@H]2C(=O)N2C(=O)OC[C@@H]2Cc2ccc(O)cc2)c(C)c1
InChIInChI=1S/C24H26N2O5/c1-13-9-14(2)20(15(3)10-13)22-21(16(4)31-25-22)23(28)26-18(12-30-24(26)29)11-17-5-7-19(27)8-6-17/h5-10,16,18,21,27H,11-12H2,1-4H3/t16-,18-,21-/m0/s1
InChIKeyHRBLBVUQBWXCKM-MDKPJZGXSA-N
MW422.48 g/mol
LogP3.65
Rot. Bonds4

About (4S)-4-[(4-hydroxyphenyl)methyl]-3-[(4R,5S)-5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one

(4S)-4-[(4-hydroxyphenyl)methyl]-3-[(4R,5S)-5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 101010617) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is (4S)-4-[(4-hydroxyphenyl)methyl]-3-[(4R,5S)-5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(4-hydroxyphenyl)methyl]-3-[(4R,5S)-5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one
PubChem CID101010617
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name(4S)-4-[(4-hydroxyphenyl)methyl]-3-[(4R,5S)-5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one
SMILESCc1cc(C)c(C2=NO[C@@H](C)[C@@H]2C(=O)N2C(=O)OC[C@@H]2Cc2ccc(O)cc2)c(C)c1
InChIInChI=1S/C24H26N2O5/c1-13-9-14(2)20(15(3)10-13)22-21(16(4)31-25-22)23(28)26-18(12-30-24(26)29)11-17-5-7-19(27)8-6-17/h5-10,16,18,21,27H,11-12H2,1-4H3/t16-,18-,21-/m0/s1
InChIKeyHRBLBVUQBWXCKM-MDKPJZGXSA-N
XLogP3.65
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-4-[(4-hydroxyphenyl)methyl]-3-[(4R,5S)-5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-4-benzyl-3-[(2S)-3-(4-hydroxyphenyl)-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 58566621
(2,4-dimethylbenzoyl) (4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate
CID 166698881
(4R)-4-benzyl-3-[(E)-1-hydroxyprop-1-enyl]-1,3-oxazolidin-2-one
CID 100990536
4-benzyl-3-[2-(4-methylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 72957232
(4S)-3-[(3R)-3-hydroxyoctanoyl]-4-[(4-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 102039216
(4S)-4-benzyl-5,5-dimethyl-3-[(4R)-5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one
CID 101271722
(4S)-4-benzyl-5,5-dimethyl-3-[(4S,5S)-5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one
CID 101225192
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
(4S)-4-benzyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
CID 159175739
(4S)-4-benzyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
CID 118160677
(4S)-4-benzyl-3-[(1S)-3-methylidenecyclopentanecarbonyl]-1,3-oxazolidin-2-one
CID 142165952
1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(4-hydroxyphenyl)methyl]-3-[(4R,5S)-5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[(4-hydroxyphenyl)methyl]-3-[(4R,5S)-5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one (CID 101010617) is (4S)-4-[(4-hydroxyphenyl)methyl]-3-[(4R,5S)-5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[(4-hydroxyphenyl)methyl]-3-[(4R,5S)-5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[(4-hydroxyphenyl)methyl]-3-[(4R,5S)-5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one is Cc1cc(C)c(C2=NO[C@@H](C)[C@@H]2C(=O)N2C(=O)OC[C@@H]2Cc2ccc(O)cc2)c(C)c1.
What is the InChIKey of (4S)-4-[(4-hydroxyphenyl)methyl]-3-[(4R,5S)-5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is HRBLBVUQBWXCKM-MDKPJZGXSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-13-9-14(2)20(15(3)10-13)22-21(16(4)31-25-22)23(28)26-18(12-30-24(26)29)11-17-5-7-19(27)8-6-17/h5-10,16,18,21,27H,11-12H2,1-4H3/t16-,18-,21-/m0/s1.
What are the key properties of (4S)-4-[(4-hydroxyphenyl)methyl]-3-[(4R,5S)-5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one?
(4S)-4-[(4-hydroxyphenyl)methyl]-3-[(4R,5S)-5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 422.48 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(4-hydroxyphenyl)methyl]-3-[(4R,5S)-5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 101010617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).