2-[5-(5-chlorothiophen-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-oxazol-4-yl]acetic acid

C15H11ClN2O3S — CID 59384609

IUPAC2-[5-(5-chlorothiophen-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-oxazol-4-yl]acetic acid
SMILESCc1ccc(-c2nc(CC(=O)O)c(-c3ccc(Cl)s3)o2)cn1
InChIInChI=1S/C15H11ClN2O3S/c1-8-2-3-9(7-17-8)15-18-10(6-13(19)20)14(21-15)11-4-5-12(16)22-11/h2-5,7H,6H2,1H3,(H,19,20)
InChIKeyRGYHMYSARHORPL-UHFFFAOYSA-N
MW334.78 g/mol
LogP4.05
Rot. Bonds4

About 2-[5-(5-chlorothiophen-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-oxazol-4-yl]acetic acid

2-[5-(5-chlorothiophen-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-oxazol-4-yl]acetic acid (PubChem CID 59384609) has the molecular formula C15H11ClN2O3S and a molecular weight of 334.78 g/mol. Its IUPAC name is 2-[5-(5-chlorothiophen-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-oxazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(5-chlorothiophen-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-oxazol-4-yl]acetic acid
PubChem CID59384609
Molecular FormulaC15H11ClN2O3S
Molecular Weight334.78 g/mol
Exact Mass334.02
IUPAC Name2-[5-(5-chlorothiophen-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-oxazol-4-yl]acetic acid
SMILESCc1ccc(-c2nc(CC(=O)O)c(-c3ccc(Cl)s3)o2)cn1
InChIInChI=1S/C15H11ClN2O3S/c1-8-2-3-9(7-17-8)15-18-10(6-13(19)20)14(21-15)11-4-5-12(16)22-11/h2-5,7H,6H2,1H3,(H,19,20)
InChIKeyRGYHMYSARHORPL-UHFFFAOYSA-N
XLogP4.05
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(5-chlorothiophen-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-oxazol-4-yl]acetic acid with MolForge

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Related Compounds

2-[5-(5-chlorothiophen-2-yl)-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]acetic acid
CID 59385100
2-[5-(5-chlorothiophen-2-yl)-2-(3-methylsulfanylphenyl)-1,3-oxazol-4-yl]acetic acid
CID 59385022
2-[5-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-4-yl]acetic acid
CID 59385154
2-[5-(5-chlorothiophen-2-yl)-2-[4-(methylsulfanylmethyl)phenyl]-1,3-oxazol-4-yl]acetate
CID 59384707
2-[4-(5-chlorothiophen-2-yl)-2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-oxazol-5-yl]acetic acid
CID 59384944
3-[5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazol-2-yl]propanoic acid
CID 82093289
ethyl 2-[2-(6-chloro-3-pyridinyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
CID 59384723
2-[5-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-oxazol-4-yl]acetate
CID 59385153
2-(5-chlorothiophen-2-yl)-4-ethyl-5-pyridin-3-yl-1,3-oxazole
CID 67547390
2-[5-(5-chlorothiophen-2-yl)-2-quinolin-2-yl-1,3-oxazol-4-yl]acetate
CID 59384941
2-[2-(4-methylsulfanylphenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid
CID 59384476
2-[4-(5-chlorothiophen-2-yl)-2-(6-ethoxy-3-pyridinyl)-1,3-thiazol-5-yl]acetic acid
CID 59384686

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-chlorothiophen-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-oxazol-4-yl]acetic acid?
The IUPAC name of 2-[5-(5-chlorothiophen-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-oxazol-4-yl]acetic acid (CID 59384609) is 2-[5-(5-chlorothiophen-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-oxazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-(5-chlorothiophen-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-oxazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-(5-chlorothiophen-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-oxazol-4-yl]acetic acid is Cc1ccc(-c2nc(CC(=O)O)c(-c3ccc(Cl)s3)o2)cn1.
What is the InChIKey of 2-[5-(5-chlorothiophen-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-oxazol-4-yl]acetic acid?
The InChIKey is RGYHMYSARHORPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3S/c1-8-2-3-9(7-17-8)15-18-10(6-13(19)20)14(21-15)11-4-5-12(16)22-11/h2-5,7H,6H2,1H3,(H,19,20).
What are the key properties of 2-[5-(5-chlorothiophen-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-oxazol-4-yl]acetic acid?
2-[5-(5-chlorothiophen-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-oxazol-4-yl]acetic acid has a molecular weight of 334.78 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-chlorothiophen-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-oxazol-4-yl]acetic acid is sourced from PubChem (CID 59384609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).