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

C11H10ClNO3S — CID 82093289

IUPAC3-[5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazol-2-yl]propanoic acid
SMILESCc1nc(CCC(=O)O)oc1-c1ccc(Cl)s1
InChIInChI=1S/C11H10ClNO3S/c1-6-11(7-2-3-8(12)17-7)16-9(13-6)4-5-10(14)15/h2-3H,4-5H2,1H3,(H,14,15)
InChIKeyCPAOTHTURFGASQ-UHFFFAOYSA-N
MW271.72 g/mol
LogP3.38
Rot. Bonds4

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

3-[5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazol-2-yl]propanoic acid (PubChem CID 82093289) has the molecular formula C11H10ClNO3S and a molecular weight of 271.72 g/mol. Its IUPAC name is 3-[5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazol-2-yl]propanoic acid
PubChem CID82093289
Molecular FormulaC11H10ClNO3S
Molecular Weight271.72 g/mol
Exact Mass271.01
IUPAC Name3-[5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazol-2-yl]propanoic acid
SMILESCc1nc(CCC(=O)O)oc1-c1ccc(Cl)s1
InChIInChI=1S/C11H10ClNO3S/c1-6-11(7-2-3-8(12)17-7)16-9(13-6)4-5-10(14)15/h2-3H,4-5H2,1H3,(H,14,15)
InChIKeyCPAOTHTURFGASQ-UHFFFAOYSA-N
XLogP3.38
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(3,4-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid
CID 82089801
2-[5-(5-chlorothiophen-2-yl)-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]acetic acid
CID 59385100
3-[5-(3-methoxyphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid
CID 82090420
2-[5-(5-chlorothiophen-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-oxazol-4-yl]acetic acid
CID 59384609
3-[4-methyl-5-(3-nitrophenyl)-1,3-oxazol-2-yl]propanoic acid
CID 43133305
3-[5-[4-(3,4-dihydro-1H-isochromen-6-yl)phenyl]-4-methyl-1,3-oxazol-2-yl]propanoic acid
CID 167972672
2-[5-(5-chlorothiophen-2-yl)-2-(3-methylsulfanylphenyl)-1,3-oxazol-4-yl]acetic acid
CID 59385022
3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid
CID 164615357
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
CID 4614
3-[4-methyl-5-(2-methylpropyl)-1,3-oxazol-2-yl]propanoic acid
CID 105464994
2-[4-(5-chlorothiophen-2-yl)-5-methyl-1,3-oxazol-2-yl]ethanamine
CID 82293528
3-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl-(2-methylpropyl)amino]propanoic acid
CID 119190566

Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazol-2-yl]propanoic acid (CID 82093289) is 3-[5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazol-2-yl]propanoic acid is Cc1nc(CCC(=O)O)oc1-c1ccc(Cl)s1.
What is the InChIKey of 3-[5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazol-2-yl]propanoic acid?
The InChIKey is CPAOTHTURFGASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3S/c1-6-11(7-2-3-8(12)17-7)16-9(13-6)4-5-10(14)15/h2-3H,4-5H2,1H3,(H,14,15).
What are the key properties of 3-[5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazol-2-yl]propanoic acid?
3-[5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazol-2-yl]propanoic acid has a molecular weight of 271.72 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazol-2-yl]propanoic acid is sourced from PubChem (CID 82093289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).