[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate

C22H22N4O4 — CID 8629902

IUPAC[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
SMILESCc1cc(-c2nnc(COC(=O)Cc3c(C)nn(-c4ccccc4)c3C)o2)c(C)o1
InChIInChI=1S/C22H22N4O4/c1-13-10-19(16(4)29-13)22-24-23-20(30-22)12-28-21(27)11-18-14(2)25-26(15(18)3)17-8-6-5-7-9-17/h5-10H,11-12H2,1-4H3
InChIKeySCOABAZRXJMWCO-UHFFFAOYSA-N
MW406.44 g/mol
LogP4.03
Rot. Bonds6

About [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate

[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate (PubChem CID 8629902) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate.

Molecular Properties

Compound Name[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
PubChem CID8629902
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
SMILESCc1cc(-c2nnc(COC(=O)Cc3c(C)nn(-c4ccccc4)c3C)o2)c(C)o1
InChIInChI=1S/C22H22N4O4/c1-13-10-19(16(4)29-13)22-24-23-20(30-22)12-28-21(27)11-18-14(2)25-26(15(18)3)17-8-6-5-7-9-17/h5-10H,11-12H2,1-4H3
InChIKeySCOABAZRXJMWCO-UHFFFAOYSA-N
XLogP4.03
TPSA96.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate with MolForge

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Related Compounds

[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate
CID 47007556
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 55402901
[(1R)-1-cyanoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 8629754
[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-3-carboxylate
CID 8817550
(2-morpholin-4-yl-2-oxoethyl) 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 8628593
(2-methoxy-5-nitrophenyl)methyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 55402916
[2-oxo-2-(propylamino)ethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 8629414
[2-(azepan-1-yl)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 8628662
[2-(4-ethylphenyl)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 8629128
[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 3-fluoro-4-methylbenzoate
CID 9387086
[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 8948985
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 55402885

Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate?
The IUPAC name of [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate (CID 8629902) is [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate.
What is the SMILES notation for [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate?
The canonical SMILES for [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate is Cc1cc(-c2nnc(COC(=O)Cc3c(C)nn(-c4ccccc4)c3C)o2)c(C)o1.
What is the InChIKey of [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate?
The InChIKey is SCOABAZRXJMWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-13-10-19(16(4)29-13)22-24-23-20(30-22)12-28-21(27)11-18-14(2)25-26(15(18)3)17-8-6-5-7-9-17/h5-10H,11-12H2,1-4H3.
What are the key properties of [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate?
[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate has a molecular weight of 406.44 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate is sourced from PubChem (CID 8629902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).