(4S,5R)-3-tert-butyl-4-methyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one

C15H21NO2 — CID 59135218

IUPAC(4S,5R)-3-tert-butyl-4-methyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1cccc([C@H]2OC(=O)N(C(C)(C)C)[C@H]2C)c1
InChIInChI=1S/C15H21NO2/c1-10-7-6-8-12(9-10)13-11(2)16(14(17)18-13)15(3,4)5/h6-9,11,13H,1-5H3/t11-,13-/m0/s1
InChIKeySMBMKKHEZMNVPI-AAEUAGOBSA-N
MW247.34 g/mol
LogP3.68
Rot. Bonds1

About (4S,5R)-3-tert-butyl-4-methyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one

(4S,5R)-3-tert-butyl-4-methyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one (PubChem CID 59135218) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (4S,5R)-3-tert-butyl-4-methyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-tert-butyl-4-methyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one
PubChem CID59135218
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(4S,5R)-3-tert-butyl-4-methyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1cccc([C@H]2OC(=O)N(C(C)(C)C)[C@H]2C)c1
InChIInChI=1S/C15H21NO2/c1-10-7-6-8-12(9-10)13-11(2)16(14(17)18-13)15(3,4)5/h6-9,11,13H,1-5H3/t11-,13-/m0/s1
InChIKeySMBMKKHEZMNVPI-AAEUAGOBSA-N
XLogP3.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5R)-3-tert-butyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 59135116
(4R,5R)-3-tert-butyl-4-methyl-5-pyridin-3-yl-1,3-oxazolidin-2-one
CID 59135096
(4S,5R)-3-tert-butyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one
CID 59135197
(5R)-3-tert-butyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one
CID 90178842
2-methyl-3-(3-methylphenyl)oxirane
CID 72951776
(4S,5S)-3-tert-butyl-5-(1,5-dimethylimidazol-2-yl)-4-methyl-1,3-oxazolidin-2-one
CID 59135126
2-[2-[4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-bis(3-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 139735098
(4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one
CID 58484806
1-tert-butyl-4-(3-methylphenyl)piperidine
CID 158482737
(4S,5R)-3-[(Z)-1-hydroxyprop-1-enyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 132917281
4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide
CID 57349112
(5S)-5-(3-methylphenyl)-1,3-oxazolidin-2-one
CID 69282063

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-tert-butyl-4-methyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-tert-butyl-4-methyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one (CID 59135218) is (4S,5R)-3-tert-butyl-4-methyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-tert-butyl-4-methyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-tert-butyl-4-methyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one is Cc1cccc([C@H]2OC(=O)N(C(C)(C)C)[C@H]2C)c1.
What is the InChIKey of (4S,5R)-3-tert-butyl-4-methyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is SMBMKKHEZMNVPI-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-7-6-8-12(9-10)13-11(2)16(14(17)18-13)15(3,4)5/h6-9,11,13H,1-5H3/t11-,13-/m0/s1.
What are the key properties of (4S,5R)-3-tert-butyl-4-methyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one?
(4S,5R)-3-tert-butyl-4-methyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-tert-butyl-4-methyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 59135218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).