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

C24H29F3N4O2 — CID 169107019

IUPACethane;1-ethyl-3-phenyl-1-propyl-3-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea
SMILESCC.CCCN(CC)C(=O)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1)c1ccccc1
InChIInChI=1S/C22H23F3N4O2.C2H6/c1-3-14-28(4-2)21(30)29(18-8-6-5-7-9-18)15-16-10-12-17(13-11-16)19-26-27-20(31-19)22(23,24)25;1-2/h5-13H,3-4,14-15H2,1-2H3;1-2H3
InChIKeyOAIAHRGEEADPSU-UHFFFAOYSA-N
MW462.52 g/mol
LogP6.64
Rot. Bonds7

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

ethane;1-ethyl-3-phenyl-1-propyl-3-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea (PubChem CID 169107019) has the molecular formula C24H29F3N4O2 and a molecular weight of 462.52 g/mol. Its IUPAC name is ethane;1-ethyl-3-phenyl-1-propyl-3-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea.

Molecular Properties

Compound Nameethane;1-ethyl-3-phenyl-1-propyl-3-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea
PubChem CID169107019
Molecular FormulaC24H29F3N4O2
Molecular Weight462.52 g/mol
Exact Mass462.22
IUPAC Nameethane;1-ethyl-3-phenyl-1-propyl-3-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea
SMILESCC.CCCN(CC)C(=O)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1)c1ccccc1
InChIInChI=1S/C22H23F3N4O2.C2H6/c1-3-14-28(4-2)21(30)29(18-8-6-5-7-9-18)15-16-10-12-17(13-11-16)19-26-27-20(31-19)22(23,24)25;1-2/h5-13H,3-4,14-15H2,1-2H3;1-2H3
InChIKeyOAIAHRGEEADPSU-UHFFFAOYSA-N
XLogP6.64
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.52
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyridine-4-carboxamide
CID 126544271
3-ethyl-1-phenyl-1-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]ethyl]urea
CID 169106966
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-(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
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
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
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-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-ethyl-N-(3-methoxyphenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-carboxamide
CID 140894431
N-(3-fluorophenyl)-1,1-dioxo-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,4-thiazinane-4-carboxamide
CID 140894088
N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide
CID 126506887

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-3-phenyl-1-propyl-3-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea?
The IUPAC name of ethane;1-ethyl-3-phenyl-1-propyl-3-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea (CID 169107019) is ethane;1-ethyl-3-phenyl-1-propyl-3-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea.
What is the SMILES notation for ethane;1-ethyl-3-phenyl-1-propyl-3-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea?
The canonical SMILES for ethane;1-ethyl-3-phenyl-1-propyl-3-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea is CC.CCCN(CC)C(=O)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1)c1ccccc1.
What is the InChIKey of ethane;1-ethyl-3-phenyl-1-propyl-3-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea?
The InChIKey is OAIAHRGEEADPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O2.C2H6/c1-3-14-28(4-2)21(30)29(18-8-6-5-7-9-18)15-16-10-12-17(13-11-16)19-26-27-20(31-19)22(23,24)25;1-2/h5-13H,3-4,14-15H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethyl-3-phenyl-1-propyl-3-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea?
ethane;1-ethyl-3-phenyl-1-propyl-3-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea has a molecular weight of 462.52 g/mol, XLogP of 6.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-3-phenyl-1-propyl-3-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]urea is sourced from PubChem (CID 169107019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).