ethyl 5-propyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]imidazole-4-carboxylate

C19H19F3N4O3 — CID 139532677

IUPACethyl 5-propyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]imidazole-4-carboxylate
SMILESCCCc1c(C(=O)OCC)ncn1Cc1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C19H19F3N4O3/c1-3-5-14-15(17(27)28-4-2)23-11-26(14)10-12-6-8-13(9-7-12)16-24-18(29-25-16)19(20,21)22/h6-9,11H,3-5,10H2,1-2H3
InChIKeyIIUMYHCTSSJOJZ-UHFFFAOYSA-N
MW408.38 g/mol
LogP4.13
Rot. Bonds7

About ethyl 5-propyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]imidazole-4-carboxylate

ethyl 5-propyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]imidazole-4-carboxylate (PubChem CID 139532677) has the molecular formula C19H19F3N4O3 and a molecular weight of 408.38 g/mol. Its IUPAC name is ethyl 5-propyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-propyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]imidazole-4-carboxylate
PubChem CID139532677
Molecular FormulaC19H19F3N4O3
Molecular Weight408.38 g/mol
Exact Mass408.14
IUPAC Nameethyl 5-propyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]imidazole-4-carboxylate
SMILESCCCc1c(C(=O)OCC)ncn1Cc1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C19H19F3N4O3/c1-3-5-14-15(17(27)28-4-2)23-11-26(14)10-12-6-8-13(9-7-12)16-24-18(29-25-16)19(20,21)22/h6-9,11H,3-5,10H2,1-2H3
InChIKeyIIUMYHCTSSJOJZ-UHFFFAOYSA-N
XLogP4.13
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 5-propyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]imidazole-4-carboxylate with MolForge

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Related Compounds

ethyl 5-methyl-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]imidazole-4-carboxylate
CID 139532664
ethyl 2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]tetrazole-5-carboxylate
CID 137420113
propyl 1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]imidazole-4-carboxylate
CID 137407862
ethyl 2-oxo-2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]acetate
CID 129285064
3,5-diethyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrazole-4-carboxamide
CID 175744262
3-[4-[[5-(methoxymethyl)imidazol-1-yl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 137414258
[1-ethoxy-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethylidene]azanium chloride
CID 142514896
1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]imidazole-2-carbaldehyde
CID 139532705
1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2,4-triazol-3-amine
CID 162746240
3-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 166793542
3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pentane-2,4-dione
CID 137412256
1-ethoxy-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea
CID 153399218

Frequently Asked Questions

What is the IUPAC name of ethyl 5-propyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]imidazole-4-carboxylate?
The IUPAC name of ethyl 5-propyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]imidazole-4-carboxylate (CID 139532677) is ethyl 5-propyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-propyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-propyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]imidazole-4-carboxylate is CCCc1c(C(=O)OCC)ncn1Cc1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of ethyl 5-propyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]imidazole-4-carboxylate?
The InChIKey is IIUMYHCTSSJOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3/c1-3-5-14-15(17(27)28-4-2)23-11-26(14)10-12-6-8-13(9-7-12)16-24-18(29-25-16)19(20,21)22/h6-9,11H,3-5,10H2,1-2H3.
What are the key properties of ethyl 5-propyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]imidazole-4-carboxylate?
ethyl 5-propyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]imidazole-4-carboxylate has a molecular weight of 408.38 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-propyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]imidazole-4-carboxylate is sourced from PubChem (CID 139532677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).