ethyl 3-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-oxadiazole-5-carboxylate

C11H14N4O3 — CID 42576961

IUPACethyl 3-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(C[C@@H](C)n2cccn2)no1
InChIInChI=1S/C11H14N4O3/c1-3-17-11(16)10-13-9(14-18-10)7-8(2)15-6-4-5-12-15/h4-6,8H,3,7H2,1-2H3/t8-/m1/s1
InChIKeyUUYCZEOKKKUUOK-MRVPVSSYSA-N
MW250.26 g/mol
LogP1.25
Rot. Bonds5

About ethyl 3-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-oxadiazole-5-carboxylate

ethyl 3-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-oxadiazole-5-carboxylate (PubChem CID 42576961) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is ethyl 3-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-oxadiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-oxadiazole-5-carboxylate
PubChem CID42576961
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Nameethyl 3-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(C[C@@H](C)n2cccn2)no1
InChIInChI=1S/C11H14N4O3/c1-3-17-11(16)10-13-9(14-18-10)7-8(2)15-6-4-5-12-15/h4-6,8H,3,7H2,1-2H3/t8-/m1/s1
InChIKeyUUYCZEOKKKUUOK-MRVPVSSYSA-N
XLogP1.25
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 3-((4-iodo-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
CID 4912835
ethyl 3-[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxylate
CID 42576435
1-(3-Tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate
CID 55551782
ethyl 3-[(4-bromo-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate
CID 4912902
Ethyl 3-(2-(1H-pyrazol-1-yl)propyl)-1,2,4-oxadiazole-5-carboxylate
CID 25248754
ethyl 3-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate
CID 4912871
ethyl 3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate
CID 5302744
Ethyl 3-[1-(cyclopropylmethyl)pyrazol-4-yl]-1,2,4-oxadiazole-5-carboxylate
CID 167327938
Methyl 3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxylate
CID 177760871
ethyl 3-(1-methyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole-5-carboxylate
CID 25247762
Ethyl 3-((4-chloro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
CID 25247842
Ethyl 3-(1-(4-methyl-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate
CID 25248363

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-oxadiazole-5-carboxylate?
The IUPAC name of ethyl 3-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-oxadiazole-5-carboxylate (CID 42576961) is ethyl 3-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-oxadiazole-5-carboxylate.
What is the SMILES notation for ethyl 3-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-oxadiazole-5-carboxylate?
The canonical SMILES for ethyl 3-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-oxadiazole-5-carboxylate is CCOC(=O)c1nc(C[C@@H](C)n2cccn2)no1.
What is the InChIKey of ethyl 3-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-oxadiazole-5-carboxylate?
The InChIKey is UUYCZEOKKKUUOK-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-3-17-11(16)10-13-9(14-18-10)7-8(2)15-6-4-5-12-15/h4-6,8H,3,7H2,1-2H3/t8-/m1/s1.
What are the key properties of ethyl 3-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-oxadiazole-5-carboxylate?
ethyl 3-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-oxadiazole-5-carboxylate has a molecular weight of 250.26 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-oxadiazole-5-carboxylate is sourced from PubChem (CID 42576961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).