3-ethyl-1-phenyl-1-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethyl]urea

C20H19F3N4O2 — CID 169106966

IUPAC3-ethyl-1-phenyl-1-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethyl]urea
SMILESCCNC(=O)N(CCc1ccc(-c2nnc(C(F)(F)F)o2)cc1)c1ccccc1
InChIInChI=1S/C20H19F3N4O2/c1-2-24-19(28)27(16-6-4-3-5-7-16)13-12-14-8-10-15(11-9-14)17-25-26-18(29-17)20(21,22)23/h3-11H,2,12-13H2,1H3,(H,24,28)
InChIKeyACMPJRWNFZFLOF-UHFFFAOYSA-N
MW404.39 g/mol
LogP4.53
Rot. Bonds6

About 3-ethyl-1-phenyl-1-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethyl]urea

3-ethyl-1-phenyl-1-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethyl]urea (PubChem CID 169106966) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 3-ethyl-1-phenyl-1-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethyl]urea.

Molecular Properties

Compound Name3-ethyl-1-phenyl-1-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethyl]urea
PubChem CID169106966
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name3-ethyl-1-phenyl-1-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethyl]urea
SMILESCCNC(=O)N(CCc1ccc(-c2nnc(C(F)(F)F)o2)cc1)c1ccccc1
InChIInChI=1S/C20H19F3N4O2/c1-2-24-19(28)27(16-6-4-3-5-7-16)13-12-14-8-10-15(11-9-14)17-25-26-18(29-17)20(21,22)23/h3-11H,2,12-13H2,1H3,(H,24,28)
InChIKeyACMPJRWNFZFLOF-UHFFFAOYSA-N
XLogP4.53
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-ethyl-3-phenyl-1-propyl-3-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea
CID 169107019
N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyridine-4-carboxamide
CID 126544271
1-[[4-(2-aminoacetyl)phenyl]methyl]-3-cyclohexyl-1-phenylurea;3-cyclohexyl-1-phenyl-1-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea
CID 160758866
tert-butyl N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]carbamate
CID 126507716
N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]pyrrolidine-1-carboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrrolidine-1-carboxamide
CID 157312462
N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]cyclohexanecarboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]cyclohexanecarboxamide
CID 158350384
4-(2-methylpropanoyl)-N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-carboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-carboxamide
CID 159266883
1-oxo-N-(4-phenylphenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,4-thiazinane-4-carboxamide
CID 167496684
4,4-difluoro-N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide;4,4-difluoro-N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-1-carboxamide
CID 159254833
N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpyridine-4-carboxamide
CID 126544397
N-ethyl-5-(4-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110392696
N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1-[3-(trifluoromethyl)oxiran-2-yl]piperidine-4-carboxamide
CID 145239480

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-phenyl-1-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethyl]urea?
The IUPAC name of 3-ethyl-1-phenyl-1-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethyl]urea (CID 169106966) is 3-ethyl-1-phenyl-1-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethyl]urea.
What is the SMILES notation for 3-ethyl-1-phenyl-1-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethyl]urea?
The canonical SMILES for 3-ethyl-1-phenyl-1-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethyl]urea is CCNC(=O)N(CCc1ccc(-c2nnc(C(F)(F)F)o2)cc1)c1ccccc1.
What is the InChIKey of 3-ethyl-1-phenyl-1-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethyl]urea?
The InChIKey is ACMPJRWNFZFLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-2-24-19(28)27(16-6-4-3-5-7-16)13-12-14-8-10-15(11-9-14)17-25-26-18(29-17)20(21,22)23/h3-11H,2,12-13H2,1H3,(H,24,28).
What are the key properties of 3-ethyl-1-phenyl-1-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethyl]urea?
3-ethyl-1-phenyl-1-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethyl]urea has a molecular weight of 404.39 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-phenyl-1-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethyl]urea is sourced from PubChem (CID 169106966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).