1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoate

C18H20N4O3 — CID 49099061

IUPAC1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoate
SMILESCc1cc(C)n(Cc2ccc(C(=O)OC(C)c3nnc(C)o3)cc2)n1
InChIInChI=1S/C18H20N4O3/c1-11-9-12(2)22(21-11)10-15-5-7-16(8-6-15)18(23)24-13(3)17-20-19-14(4)25-17/h5-9,13H,10H2,1-4H3
InChIKeyGSDBKAGFDJBDJN-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.16
Rot. Bonds5

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

1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoate (PubChem CID 49099061) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoate.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoate
PubChem CID49099061
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoate
SMILESCc1cc(C)n(Cc2ccc(C(=O)OC(C)c3nnc(C)o3)cc2)n1
InChIInChI=1S/C18H20N4O3/c1-11-9-12(2)22(21-11)10-15-5-7-16(8-6-15)18(23)24-13(3)17-20-19-14(4)25-17/h5-9,13H,10H2,1-4H3
InChIKeyGSDBKAGFDJBDJN-UHFFFAOYSA-N
XLogP3.16
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 55390571
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pentan-2-ylbenzamide
CID 48981331
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-(hydroxymethyl)benzoate
CID 47009407
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 49014961
(2S,3S)-2-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-3-methylpentanoic acid
CID 119194190
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 48980515
N-(1-aminopropan-2-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methylbenzamide;hydrochloride
CID 119581708
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 48986640
[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 49013956
1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 2-bromo-4-chlorobenzoate
CID 86779255
N-(4-carbamoylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 48980777
N-(4-bromophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 94872709

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoate?
The IUPAC name of 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoate (CID 49099061) is 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoate.
What is the SMILES notation for 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoate?
The canonical SMILES for 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoate is Cc1cc(C)n(Cc2ccc(C(=O)OC(C)c3nnc(C)o3)cc2)n1.
What is the InChIKey of 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoate?
The InChIKey is GSDBKAGFDJBDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11-9-12(2)22(21-11)10-15-5-7-16(8-6-15)18(23)24-13(3)17-20-19-14(4)25-17/h5-9,13H,10H2,1-4H3.
What are the key properties of 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoate?
1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoate has a molecular weight of 340.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoate is sourced from PubChem (CID 49099061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).