(4R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid

C15H14N2O5 — CID 170343843

IUPAC(4R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid
SMILESCc1noc(C)c1-c1ccc([C@@H]2COC(=O)N2C(=O)O)cc1
InChIInChI=1S/C15H14N2O5/c1-8-13(9(2)22-16-8)11-5-3-10(4-6-11)12-7-21-15(20)17(12)14(18)19/h3-6,12H,7H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyROMDXPQLFQXKGZ-LBPRGKRZSA-N
MW302.29 g/mol
LogP3.13
Rot. Bonds2

About (4R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid

(4R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid (PubChem CID 170343843) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is (4R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name(4R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid
PubChem CID170343843
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name(4R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid
SMILESCc1noc(C)c1-c1ccc([C@@H]2COC(=O)N2C(=O)O)cc1
InChIInChI=1S/C15H14N2O5/c1-8-13(9(2)22-16-8)11-5-3-10(4-6-11)12-7-21-15(20)17(12)14(18)19/h3-6,12H,7H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyROMDXPQLFQXKGZ-LBPRGKRZSA-N
XLogP3.13
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of (4R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid (CID 170343843) is (4R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for (4R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for (4R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid is Cc1noc(C)c1-c1ccc([C@@H]2COC(=O)N2C(=O)O)cc1.
What is the InChIKey of (4R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is ROMDXPQLFQXKGZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-8-13(9(2)22-16-8)11-5-3-10(4-6-11)12-7-21-15(20)17(12)14(18)19/h3-6,12H,7H2,1-2H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (4R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid?
(4R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 302.29 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 170343843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).