methyl 2-[[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate

C10H12N4O3S — CID 23006785

IUPACmethyl 2-[[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
SMILESCOC(=O)CSc1nnc(-c2cc(C)nn2C)o1
InChIInChI=1S/C10H12N4O3S/c1-6-4-7(14(2)13-6)9-11-12-10(17-9)18-5-8(15)16-3/h4H,5H2,1-3H3
InChIKeyCDEXTSIVJAKYAI-UHFFFAOYSA-N
MW268.30 g/mol
LogP1.04
Rot. Bonds4

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

methyl 2-[[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate (PubChem CID 23006785) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is methyl 2-[[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
PubChem CID23006785
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC Namemethyl 2-[[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
SMILESCOC(=O)CSc1nnc(-c2cc(C)nn2C)o1
InChIInChI=1S/C10H12N4O3S/c1-6-4-7(14(2)13-6)9-11-12-10(17-9)18-5-8(15)16-3/h4H,5H2,1-3H3
InChIKeyCDEXTSIVJAKYAI-UHFFFAOYSA-N
XLogP1.04
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 859580
methyl 3-[[5-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 23006822
2-[[5-(2-butyl-5-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 23006771
methyl 3-[[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 23006806
methyl 2-[[5-[1-(2-methylpropyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 23006751
N-(2,5-dimethylpyrazol-3-yl)-2-[[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 167819492
methyl 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
CID 23006648
methyl 2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 647980
3-[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylethyl)propanamide
CID 75767320
2-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 66128650
methyl 2-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 23006660
tert-butyl 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 78763965

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The IUPAC name of methyl 2-[[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate (CID 23006785) is methyl 2-[[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.
What is the SMILES notation for methyl 2-[[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The canonical SMILES for methyl 2-[[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate is COC(=O)CSc1nnc(-c2cc(C)nn2C)o1.
What is the InChIKey of methyl 2-[[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The InChIKey is CDEXTSIVJAKYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c1-6-4-7(14(2)13-6)9-11-12-10(17-9)18-5-8(15)16-3/h4H,5H2,1-3H3.
What are the key properties of methyl 2-[[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
methyl 2-[[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate has a molecular weight of 268.30 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate is sourced from PubChem (CID 23006785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).