methyl 3-[[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate

C10H12N4O3S — CID 23006806

IUPACmethyl 3-[[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
SMILESCOC(=O)CCSc1nnc(-c2ccnn2C)o1
InChIInChI=1S/C10H12N4O3S/c1-14-7(3-5-11-14)9-12-13-10(17-9)18-6-4-8(15)16-2/h3,5H,4,6H2,1-2H3
InChIKeyOJBRLMZJJXWCQZ-UHFFFAOYSA-N
MW268.30 g/mol
LogP1.13
Rot. Bonds5

About methyl 3-[[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate

methyl 3-[[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate (PubChem CID 23006806) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is methyl 3-[[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
PubChem CID23006806
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC Namemethyl 3-[[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
SMILESCOC(=O)CCSc1nnc(-c2ccnn2C)o1
InChIInChI=1S/C10H12N4O3S/c1-14-7(3-5-11-14)9-12-13-10(17-9)18-6-4-8(15)16-2/h3,5H,4,6H2,1-2H3
InChIKeyOJBRLMZJJXWCQZ-UHFFFAOYSA-N
XLogP1.13
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 3-[[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate with MolForge

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Related Compounds

methyl 3-[[5-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 23006822
methyl 2-[[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 23006785
methyl 2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 859580
3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 3298737
methyl 3-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate
CID 23006669
methyl 4-[[5-(2-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanoate
CID 139557948
methyl 2-[[2-[[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetate
CID 54456959
methyl 2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 647980
3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 3620914
3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 9484094
3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 6952022
methyl 2-[[5-[1-(2-methylpropyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 23006751

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate?
The IUPAC name of methyl 3-[[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate (CID 23006806) is methyl 3-[[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate.
What is the SMILES notation for methyl 3-[[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate?
The canonical SMILES for methyl 3-[[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate is COC(=O)CCSc1nnc(-c2ccnn2C)o1.
What is the InChIKey of methyl 3-[[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate?
The InChIKey is OJBRLMZJJXWCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c1-14-7(3-5-11-14)9-12-13-10(17-9)18-6-4-8(15)16-2/h3,5H,4,6H2,1-2H3.
What are the key properties of methyl 3-[[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate?
methyl 3-[[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate has a molecular weight of 268.30 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate is sourced from PubChem (CID 23006806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).