(5R)-3-(3,5-dimethylphenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one

C15H18N4O2 — CID 58965112

IUPAC(5R)-3-(3,5-dimethylphenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1cc(C)cc(N2C[C@H](Cn3cc(C)nn3)OC2=O)c1
InChIInChI=1S/C15H18N4O2/c1-10-4-11(2)6-13(5-10)19-9-14(21-15(19)20)8-18-7-12(3)16-17-18/h4-7,14H,8-9H2,1-3H3/t14-/m0/s1
InChIKeyOBXZYLLSPZRCCC-AWEZNQCLSA-N
MW286.34 g/mol
LogP2.23
Rot. Bonds3

About (5R)-3-(3,5-dimethylphenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one

(5R)-3-(3,5-dimethylphenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 58965112) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is (5R)-3-(3,5-dimethylphenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-(3,5-dimethylphenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID58965112
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name(5R)-3-(3,5-dimethylphenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1cc(C)cc(N2C[C@H](Cn3cc(C)nn3)OC2=O)c1
InChIInChI=1S/C15H18N4O2/c1-10-4-11(2)6-13(5-10)19-9-14(21-15(19)20)8-18-7-12(3)16-17-18/h4-7,14H,8-9H2,1-3H3/t14-/m0/s1
InChIKeyOBXZYLLSPZRCCC-AWEZNQCLSA-N
XLogP2.23
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(3,5-dimethylphenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-(3,5-dimethylphenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one (CID 58965112) is (5R)-3-(3,5-dimethylphenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-(3,5-dimethylphenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-(3,5-dimethylphenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one is Cc1cc(C)cc(N2C[C@H](Cn3cc(C)nn3)OC2=O)c1.
What is the InChIKey of (5R)-3-(3,5-dimethylphenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is OBXZYLLSPZRCCC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-4-11(2)6-13(5-10)19-9-14(21-15(19)20)8-18-7-12(3)16-17-18/h4-7,14H,8-9H2,1-3H3/t14-/m0/s1.
What are the key properties of (5R)-3-(3,5-dimethylphenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
(5R)-3-(3,5-dimethylphenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 286.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(3,5-dimethylphenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58965112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).