1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-[hydroxy(phenyl)methyl]-3-methylbutan-1-one

C23H29NO3 — CID 18552702

IUPAC1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-[hydroxy(phenyl)methyl]-3-methylbutan-1-one
SMILESCC(C)C(C(=O)N1[C@H](c2ccccc2)COC1(C)C)C(O)c1ccccc1
InChIInChI=1S/C23H29NO3/c1-16(2)20(21(25)18-13-9-6-10-14-18)22(26)24-19(15-27-23(24,3)4)17-11-7-5-8-12-17/h5-14,16,19-21,25H,15H2,1-4H3/t19-,20?,21?/m0/s1
InChIKeyXZAOVNDOZVBLQK-MWXLCCTBSA-N
MW367.49 g/mol
LogP4.33
Rot. Bonds5

About 1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-[hydroxy(phenyl)methyl]-3-methylbutan-1-one

1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-[hydroxy(phenyl)methyl]-3-methylbutan-1-one (PubChem CID 18552702) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-[hydroxy(phenyl)methyl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-[hydroxy(phenyl)methyl]-3-methylbutan-1-one
PubChem CID18552702
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-[hydroxy(phenyl)methyl]-3-methylbutan-1-one
SMILESCC(C)C(C(=O)N1[C@H](c2ccccc2)COC1(C)C)C(O)c1ccccc1
InChIInChI=1S/C23H29NO3/c1-16(2)20(21(25)18-13-9-6-10-14-18)22(26)24-19(15-27-23(24,3)4)17-11-7-5-8-12-17/h5-14,16,19-21,25H,15H2,1-4H3/t19-,20?,21?/m0/s1
InChIKeyXZAOVNDOZVBLQK-MWXLCCTBSA-N
XLogP4.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-[hydroxy(phenyl)methyl]-3-methylbutan-1-one with MolForge

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Related Compounds

(+/-)-Clausenamide
CID 5315946
(4S)-3-[(2S,3S)-4-benzyl-3-hydroxy-2-methylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 49846980
(+)Clausenamide
CID 128412
L-Clausenamide
CID 9904294
(-)-Cis-Clausenamide
CID 10125525
(+)-Epi-Neoclausenamide
CID 10149518
(+)Neoclausenamide
CID 10149519
(-)-Epi-Clausenamide
CID 10149520
(+)Cis-Clausenamide
CID 10171735
Neoclausenamide
CID 10214903
(+)-Cis-Neoclausenamide
CID 10214905
(-)-Cis-Neoclausenamide
CID 10286272

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-[hydroxy(phenyl)methyl]-3-methylbutan-1-one?
The IUPAC name of 1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-[hydroxy(phenyl)methyl]-3-methylbutan-1-one (CID 18552702) is 1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-[hydroxy(phenyl)methyl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-[hydroxy(phenyl)methyl]-3-methylbutan-1-one?
The canonical SMILES for 1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-[hydroxy(phenyl)methyl]-3-methylbutan-1-one is CC(C)C(C(=O)N1[C@H](c2ccccc2)COC1(C)C)C(O)c1ccccc1.
What is the InChIKey of 1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-[hydroxy(phenyl)methyl]-3-methylbutan-1-one?
The InChIKey is XZAOVNDOZVBLQK-MWXLCCTBSA-N. The full InChI is InChI=1S/C23H29NO3/c1-16(2)20(21(25)18-13-9-6-10-14-18)22(26)24-19(15-27-23(24,3)4)17-11-7-5-8-12-17/h5-14,16,19-21,25H,15H2,1-4H3/t19-,20?,21?/m0/s1.
What are the key properties of 1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-[hydroxy(phenyl)methyl]-3-methylbutan-1-one?
1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-[hydroxy(phenyl)methyl]-3-methylbutan-1-one has a molecular weight of 367.49 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-[hydroxy(phenyl)methyl]-3-methylbutan-1-one is sourced from PubChem (CID 18552702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).