(4R)-4-benzyl-5,5-dimethyl-3-[(5R)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one

C25H28N2O4 — CID 10112865

IUPAC(4R)-4-benzyl-5,5-dimethyl-3-[(5R)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
SMILESCc1cc(C)c(C2=NO[C@@H](C(=O)N3C(=O)OC(C)(C)[C@H]3Cc3ccccc3)C2)c(C)c1
InChIInChI=1S/C25H28N2O4/c1-15-11-16(2)22(17(3)12-15)19-14-20(31-26-19)23(28)27-21(25(4,5)30-24(27)29)13-18-9-7-6-8-10-18/h6-12,20-21H,13-14H2,1-5H3/t20-,21-/m1/s1
InChIKeyYDNSECIJQBPFEO-NHCUHLMSSA-N
MW420.51 g/mol
LogP4.47
Rot. Bonds4

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

(4R)-4-benzyl-5,5-dimethyl-3-[(5R)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 10112865) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is (4R)-4-benzyl-5,5-dimethyl-3-[(5R)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-5,5-dimethyl-3-[(5R)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
PubChem CID10112865
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name(4R)-4-benzyl-5,5-dimethyl-3-[(5R)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
SMILESCc1cc(C)c(C2=NO[C@@H](C(=O)N3C(=O)OC(C)(C)[C@H]3Cc3ccccc3)C2)c(C)c1
InChIInChI=1S/C25H28N2O4/c1-15-11-16(2)22(17(3)12-15)19-14-20(31-26-19)23(28)27-21(25(4,5)30-24(27)29)13-18-9-7-6-8-10-18/h6-12,20-21H,13-14H2,1-5H3/t20-,21-/m1/s1
InChIKeyYDNSECIJQBPFEO-NHCUHLMSSA-N
XLogP4.47
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

(4S)-4-benzyl-3-[(5S)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-5,5-dimethyl-1,3-oxazolidin-2-one
CID 15537175
(4S)-4-benzyl-3-[(5S)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-5,5-dimethyl-1,3-oxazolidin-2-one
CID 139911581
(4S)-4-benzyl-3-[(5S)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-5,5-dimethyl-1,3-oxazolidin-2-one
CID 139911622
3-[3-(4-Fluorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
CID 139985376
Oxazoliden-2-one, N-[(3-mesityl-4-methyl-2-isoxazoline)-5-carbonyl]-, (E)-
CID 608760
(4S)-4-benzyl-3-[(5R)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-5,5-dimethyl-1,3-oxazolidin-2-one
CID 15537174
(4S)-4-benzyl-3-[(4S,5S)-4-ethyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
CID 25148647
(4S)-4-benzyl-3-[(4S,5R)-5-ethyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one
CID 25148731
[3-(2-Methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 24711968
Oxazolidin-2-one, N-[(3-mesityl-5-methyl-2-isoxazoline)-4-carbonyl]-, (E)-
CID 611827
[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 21727619
[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 21727621

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-5,5-dimethyl-3-[(5R)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-5,5-dimethyl-3-[(5R)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one (CID 10112865) is (4R)-4-benzyl-5,5-dimethyl-3-[(5R)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-5,5-dimethyl-3-[(5R)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-5,5-dimethyl-3-[(5R)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one is Cc1cc(C)c(C2=NO[C@@H](C(=O)N3C(=O)OC(C)(C)[C@H]3Cc3ccccc3)C2)c(C)c1.
What is the InChIKey of (4R)-4-benzyl-5,5-dimethyl-3-[(5R)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is YDNSECIJQBPFEO-NHCUHLMSSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-15-11-16(2)22(17(3)12-15)19-14-20(31-26-19)23(28)27-21(25(4,5)30-24(27)29)13-18-9-7-6-8-10-18/h6-12,20-21H,13-14H2,1-5H3/t20-,21-/m1/s1.
What are the key properties of (4R)-4-benzyl-5,5-dimethyl-3-[(5R)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-5,5-dimethyl-3-[(5R)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 420.51 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-5,5-dimethyl-3-[(5R)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10112865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).