methyl 2-[5-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]acetate

C11H13ClN4O3 — CID 19552482

IUPACmethyl 2-[5-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]acetate
SMILESCOC(=O)Cc1nnc(CCn2cc(Cl)c(C)n2)o1
InChIInChI=1S/C11H13ClN4O3/c1-7-8(12)6-16(15-7)4-3-9-13-14-10(19-9)5-11(17)18-2/h6H,3-5H2,1-2H3
InChIKeyCQXNRQFNRAUPHU-UHFFFAOYSA-N
MW284.70 g/mol
LogP1.19
Rot. Bonds5

About methyl 2-[5-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]acetate

methyl 2-[5-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]acetate (PubChem CID 19552482) has the molecular formula C11H13ClN4O3 and a molecular weight of 284.70 g/mol. Its IUPAC name is methyl 2-[5-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]acetate
PubChem CID19552482
Molecular FormulaC11H13ClN4O3
Molecular Weight284.70 g/mol
Exact Mass284.07
IUPAC Namemethyl 2-[5-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]acetate
SMILESCOC(=O)Cc1nnc(CCn2cc(Cl)c(C)n2)o1
InChIInChI=1S/C11H13ClN4O3/c1-7-8(12)6-16(15-7)4-3-9-13-14-10(19-9)5-11(17)18-2/h6H,3-5H2,1-2H3
InChIKeyCQXNRQFNRAUPHU-UHFFFAOYSA-N
XLogP1.19
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-sulfanylethyl)acetamide
CID 19521011
methyl 2-[5-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]acetate
CID 19552372
methyl 3-[4-(cyanomethyl)-3-methylpyrazol-1-yl]propanoate
CID 170886342
4-(4-chloro-3-methylpyrazol-1-yl)-2-methylbutan-2-ol
CID 79360049
3-(4-chloro-3-methylpyrazol-1-yl)-N-phenylpropanamide
CID 19544009
methyl (E)-5-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]pent-2-enoate
CID 146100006
2-(4-chloro-3-methylpyrazol-1-yl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 19521189
ethyl 4-(4-chloro-3-methylpyrazol-1-yl)-3-hydroxybutanoate
CID 82776989
methyl 3-bromo-4-[(4-chloro-3-methylpyrazol-1-yl)methyl]benzoate
CID 102766237
methyl 2-amino-6-[(4-chloro-3-methylpyrazol-1-yl)methyl]benzoate
CID 104825017
methyl 2-[5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]acetate
CID 19542381
3-(4-chloro-3-methylpyrazol-1-yl)-N-hexylpropanamide
CID 19543945

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]acetate?
The IUPAC name of methyl 2-[5-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]acetate (CID 19552482) is methyl 2-[5-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]acetate is COC(=O)Cc1nnc(CCn2cc(Cl)c(C)n2)o1.
What is the InChIKey of methyl 2-[5-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]acetate?
The InChIKey is CQXNRQFNRAUPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O3/c1-7-8(12)6-16(15-7)4-3-9-13-14-10(19-9)5-11(17)18-2/h6H,3-5H2,1-2H3.
What are the key properties of methyl 2-[5-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]acetate?
methyl 2-[5-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]acetate has a molecular weight of 284.70 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]acetate is sourced from PubChem (CID 19552482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).