(4S,5S)-3-tert-butyl-5-(1,5-dimethylimidazol-2-yl)-4-methyl-1,3-oxazolidin-2-one

C13H21N3O2 — CID 59135126

IUPAC(4S,5S)-3-tert-butyl-5-(1,5-dimethylimidazol-2-yl)-4-methyl-1,3-oxazolidin-2-one
SMILESCc1cnc([C@H]2OC(=O)N(C(C)(C)C)[C@H]2C)n1C
InChIInChI=1S/C13H21N3O2/c1-8-7-14-11(15(8)6)10-9(2)16(12(17)18-10)13(3,4)5/h7,9-10H,1-6H3/t9-,10-/m0/s1
InChIKeyCERBIKIOYRKSEQ-UWVGGRQHSA-N
MW251.33 g/mol
LogP2.41
Rot. Bonds1

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

(4S,5S)-3-tert-butyl-5-(1,5-dimethylimidazol-2-yl)-4-methyl-1,3-oxazolidin-2-one (PubChem CID 59135126) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (4S,5S)-3-tert-butyl-5-(1,5-dimethylimidazol-2-yl)-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-3-tert-butyl-5-(1,5-dimethylimidazol-2-yl)-4-methyl-1,3-oxazolidin-2-one
PubChem CID59135126
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(4S,5S)-3-tert-butyl-5-(1,5-dimethylimidazol-2-yl)-4-methyl-1,3-oxazolidin-2-one
SMILESCc1cnc([C@H]2OC(=O)N(C(C)(C)C)[C@H]2C)n1C
InChIInChI=1S/C13H21N3O2/c1-8-7-14-11(15(8)6)10-9(2)16(12(17)18-10)13(3,4)5/h7,9-10H,1-6H3/t9-,10-/m0/s1
InChIKeyCERBIKIOYRKSEQ-UWVGGRQHSA-N
XLogP2.41
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-3-tert-butyl-5-(1,5-dimethylimidazol-2-yl)-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-3-tert-butyl-5-(1,5-dimethylimidazol-2-yl)-4-methyl-1,3-oxazolidin-2-one (CID 59135126) is (4S,5S)-3-tert-butyl-5-(1,5-dimethylimidazol-2-yl)-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-3-tert-butyl-5-(1,5-dimethylimidazol-2-yl)-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-3-tert-butyl-5-(1,5-dimethylimidazol-2-yl)-4-methyl-1,3-oxazolidin-2-one is Cc1cnc([C@H]2OC(=O)N(C(C)(C)C)[C@H]2C)n1C.
What is the InChIKey of (4S,5S)-3-tert-butyl-5-(1,5-dimethylimidazol-2-yl)-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is CERBIKIOYRKSEQ-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8-7-14-11(15(8)6)10-9(2)16(12(17)18-10)13(3,4)5/h7,9-10H,1-6H3/t9-,10-/m0/s1.
What are the key properties of (4S,5S)-3-tert-butyl-5-(1,5-dimethylimidazol-2-yl)-4-methyl-1,3-oxazolidin-2-one?
(4S,5S)-3-tert-butyl-5-(1,5-dimethylimidazol-2-yl)-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 251.33 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-3-tert-butyl-5-(1,5-dimethylimidazol-2-yl)-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59135126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).