3-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-2-yl]benzoic acid

C19H14N2O4S — CID 146091654

IUPAC3-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-2-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2nc(-c3ccc(N4CCOC4=O)cc3)cs2)c1
InChIInChI=1S/C19H14N2O4S/c22-18(23)14-3-1-2-13(10-14)17-20-16(11-26-17)12-4-6-15(7-5-12)21-8-9-25-19(21)24/h1-7,10-11H,8-9H2,(H,22,23)
InChIKeyLSAFJMJQZFSUHE-UHFFFAOYSA-N
MW366.40 g/mol
LogP4.13
Rot. Bonds4

About 3-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-2-yl]benzoic acid

3-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-2-yl]benzoic acid (PubChem CID 146091654) has the molecular formula C19H14N2O4S and a molecular weight of 366.40 g/mol. Its IUPAC name is 3-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-2-yl]benzoic acid.

Molecular Properties

Compound Name3-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-2-yl]benzoic acid
PubChem CID146091654
Molecular FormulaC19H14N2O4S
Molecular Weight366.40 g/mol
Exact Mass366.07
IUPAC Name3-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-2-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2nc(-c3ccc(N4CCOC4=O)cc3)cs2)c1
InChIInChI=1S/C19H14N2O4S/c22-18(23)14-3-1-2-13(10-14)17-20-16(11-26-17)12-4-6-15(7-5-12)21-8-9-25-19(21)24/h1-7,10-11H,8-9H2,(H,22,23)
InChIKeyLSAFJMJQZFSUHE-UHFFFAOYSA-N
XLogP4.13
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[4-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]benzoic acid
CID 118075231
3-(4-phenylphenyl)-1,3-oxazolidin-2-one
CID 102377598
3-[4-[2-(azepan-1-yl)-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one
CID 99600302
1-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
CID 17398125
4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]benzoic acid
CID 63529998
3-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]benzoic acid
CID 63540780
3-(4-cyclopropyl-1,3-thiazol-2-yl)benzoic acid
CID 63903085
3-[2-(azepan-1-yl)-1,3-thiazol-4-yl]benzoic acid
CID 79156493
3-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzoic acid
CID 71454260
1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
CID 9398580
4-(3-carboxyphenyl)-1,3-thiazole-2-carboxylic acid
CID 18548742
3-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]-1,3-thiazol-2-yl]benzoic acid
CID 60529021

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-2-yl]benzoic acid?
The IUPAC name of 3-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-2-yl]benzoic acid (CID 146091654) is 3-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-2-yl]benzoic acid.
What is the SMILES notation for 3-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-2-yl]benzoic acid?
The canonical SMILES for 3-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-2-yl]benzoic acid is O=C(O)c1cccc(-c2nc(-c3ccc(N4CCOC4=O)cc3)cs2)c1.
What is the InChIKey of 3-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-2-yl]benzoic acid?
The InChIKey is LSAFJMJQZFSUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4S/c22-18(23)14-3-1-2-13(10-14)17-20-16(11-26-17)12-4-6-15(7-5-12)21-8-9-25-19(21)24/h1-7,10-11H,8-9H2,(H,22,23).
What are the key properties of 3-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-2-yl]benzoic acid?
3-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-2-yl]benzoic acid has a molecular weight of 366.40 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-2-yl]benzoic acid is sourced from PubChem (CID 146091654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).