4-amino-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazole-5-carboxylic acid

C13H10N4O3S — CID 53367371

IUPAC4-amino-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazole-5-carboxylic acid
SMILESCc1ccc(-c2noc(-c3nsc(C(=O)O)c3N)n2)cc1
InChIInChI=1S/C13H10N4O3S/c1-6-2-4-7(5-3-6)11-15-12(20-16-11)9-8(14)10(13(18)19)21-17-9/h2-5H,14H2,1H3,(H,18,19)
InChIKeyLEXKGLDNQLHEDY-UHFFFAOYSA-N
MW302.32 g/mol
LogP2.45
Rot. Bonds3

About 4-amino-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazole-5-carboxylic acid

4-amino-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazole-5-carboxylic acid (PubChem CID 53367371) has the molecular formula C13H10N4O3S and a molecular weight of 302.32 g/mol. Its IUPAC name is 4-amino-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazole-5-carboxylic acid
PubChem CID53367371
Molecular FormulaC13H10N4O3S
Molecular Weight302.32 g/mol
Exact Mass302.05
IUPAC Name4-amino-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazole-5-carboxylic acid
SMILESCc1ccc(-c2noc(-c3nsc(C(=O)O)c3N)n2)cc1
InChIInChI=1S/C13H10N4O3S/c1-6-2-4-7(5-3-6)11-15-12(20-16-11)9-8(14)10(13(18)19)21-17-9/h2-5H,14H2,1H3,(H,18,19)
InChIKeyLEXKGLDNQLHEDY-UHFFFAOYSA-N
XLogP2.45
TPSA115.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 82207947
5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine
CID 20904427
2-amino-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712652
3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 752268
3-(4-methylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527949
5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867102
3-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole
CID 17015661
N-[4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 46265245
3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 25249929
[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 59204295
4-amino-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 66598652
4-[5-(2-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 61339932

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 4-amino-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazole-5-carboxylic acid (CID 53367371) is 4-amino-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-amino-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 4-amino-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazole-5-carboxylic acid is Cc1ccc(-c2noc(-c3nsc(C(=O)O)c3N)n2)cc1.
What is the InChIKey of 4-amino-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazole-5-carboxylic acid?
The InChIKey is LEXKGLDNQLHEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3S/c1-6-2-4-7(5-3-6)11-15-12(20-16-11)9-8(14)10(13(18)19)21-17-9/h2-5H,14H2,1H3,(H,18,19).
What are the key properties of 4-amino-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazole-5-carboxylic acid?
4-amino-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazole-5-carboxylic acid has a molecular weight of 302.32 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 53367371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).