methyl 3-[5-(2-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoate

C18H13N5O3 — CID 119050713

IUPACmethyl 3-[5-(2-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoate
SMILESCOC(=O)c1cccc(-c2noc(-c3cccnc3-n3cccn3)n2)c1
InChIInChI=1S/C18H13N5O3/c1-25-18(24)13-6-2-5-12(11-13)15-21-17(26-22-15)14-7-3-8-19-16(14)23-10-4-9-20-23/h2-11H,1H3
InChIKeyZRTHTSUYSYEGLX-UHFFFAOYSA-N
MW347.33 g/mol
LogP2.77
Rot. Bonds4

About methyl 3-[5-(2-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoate

methyl 3-[5-(2-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoate (PubChem CID 119050713) has the molecular formula C18H13N5O3 and a molecular weight of 347.33 g/mol. Its IUPAC name is methyl 3-[5-(2-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-[5-(2-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoate
PubChem CID119050713
Molecular FormulaC18H13N5O3
Molecular Weight347.33 g/mol
Exact Mass347.10
IUPAC Namemethyl 3-[5-(2-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoate
SMILESCOC(=O)c1cccc(-c2noc(-c3cccnc3-n3cccn3)n2)c1
InChIInChI=1S/C18H13N5O3/c1-25-18(24)13-6-2-5-12(11-13)15-21-17(26-22-15)14-7-3-8-19-16(14)23-10-4-9-20-23/h2-11H,1H3
InChIKeyZRTHTSUYSYEGLX-UHFFFAOYSA-N
XLogP2.77
TPSA95.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 3-[5-(2-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoate with MolForge

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Related Compounds

methyl 3-pyrimidin-2-ylbenzoate
CID 69487031
methyl 3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)benzoate
CID 176895766
methyl 3-quinolin-8-ylbenzoate
CID 4189037
4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-1-carboxylic acid
CID 143793994
methyl 3-[5-(1-hydroxycyclopentyl)-1,2,4-oxadiazol-3-yl]benzoate
CID 91650435
3-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 62876336
methyl 3-[3-[4-(2-hydroxyethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzoate
CID 130232199
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid
CID 53353072
3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid;3-(5-phenyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 159299001
methyl 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoate
CID 6461496
1-[3-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 143793952
tert-butyl N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]carbamate
CID 25264785

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-(2-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoate?
The IUPAC name of methyl 3-[5-(2-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoate (CID 119050713) is methyl 3-[5-(2-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoate.
What is the SMILES notation for methyl 3-[5-(2-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoate?
The canonical SMILES for methyl 3-[5-(2-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoate is COC(=O)c1cccc(-c2noc(-c3cccnc3-n3cccn3)n2)c1.
What is the InChIKey of methyl 3-[5-(2-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoate?
The InChIKey is ZRTHTSUYSYEGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O3/c1-25-18(24)13-6-2-5-12(11-13)15-21-17(26-22-15)14-7-3-8-19-16(14)23-10-4-9-20-23/h2-11H,1H3.
What are the key properties of methyl 3-[5-(2-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoate?
methyl 3-[5-(2-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoate has a molecular weight of 347.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-(2-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoate is sourced from PubChem (CID 119050713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).