2,3-dimethyl-2-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]butanoic acid

C14H19N3O3S — CID 62797543

IUPAC2,3-dimethyl-2-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
SMILESCc1csc(Cc2noc(CC(C)(C(=O)O)C(C)C)n2)n1
InChIInChI=1S/C14H19N3O3S/c1-8(2)14(4,13(18)19)6-11-16-10(17-20-11)5-12-15-9(3)7-21-12/h7-8H,5-6H2,1-4H3,(H,18,19)
InChIKeyURWAMLXWDXLTBN-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.71
Rot. Bonds6

About 2,3-dimethyl-2-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]butanoic acid

2,3-dimethyl-2-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]butanoic acid (PubChem CID 62797543) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2,3-dimethyl-2-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]butanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-2-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
PubChem CID62797543
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2,3-dimethyl-2-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
SMILESCc1csc(Cc2noc(CC(C)(C(=O)O)C(C)C)n2)n1
InChIInChI=1S/C14H19N3O3S/c1-8(2)14(4,13(18)19)6-11-16-10(17-20-11)5-12-15-9(3)7-21-12/h7-8H,5-6H2,1-4H3,(H,18,19)
InChIKeyURWAMLXWDXLTBN-UHFFFAOYSA-N
XLogP2.71
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,3-dimethyl-2-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]butanoic acid with MolForge

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Related Compounds

2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid
CID 43471044
N,3,3-trimethyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352279
2,3-dimethyl-2-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
CID 65138451
1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63351963
2-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dimethylbutanoic acid
CID 116799727
N-tert-butyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 55120861
1-cyclopropyl-N-methyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 55201084
[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 63846620
2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]benzoic acid
CID 62797202
N-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 55123400
(1S,2S)-2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900079
2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid
CID 64982392

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]butanoic acid?
The IUPAC name of 2,3-dimethyl-2-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]butanoic acid (CID 62797543) is 2,3-dimethyl-2-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]butanoic acid.
What is the SMILES notation for 2,3-dimethyl-2-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]butanoic acid?
The canonical SMILES for 2,3-dimethyl-2-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]butanoic acid is Cc1csc(Cc2noc(CC(C)(C(=O)O)C(C)C)n2)n1.
What is the InChIKey of 2,3-dimethyl-2-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]butanoic acid?
The InChIKey is URWAMLXWDXLTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-8(2)14(4,13(18)19)6-11-16-10(17-20-11)5-12-15-9(3)7-21-12/h7-8H,5-6H2,1-4H3,(H,18,19).
What are the key properties of 2,3-dimethyl-2-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]butanoic acid?
2,3-dimethyl-2-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]butanoic acid has a molecular weight of 309.39 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]butanoic acid is sourced from PubChem (CID 62797543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).