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

C14H15F3N4O3 — CID 145340178

IUPAC1-(2-methoxyethyl)-1-methyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
SMILESCOCCN(C)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H15F3N4O3/c1-21(7-8-23-2)13(22)18-10-5-3-9(4-6-10)11-19-12(24-20-11)14(15,16)17/h3-6H,7-8H2,1-2H3,(H,18,22)
InChIKeyIGMRRWPXHVZPGL-UHFFFAOYSA-N
MW344.29 g/mol
LogP2.87
Rot. Bonds5

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

1-(2-methoxyethyl)-1-methyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea (PubChem CID 145340178) has the molecular formula C14H15F3N4O3 and a molecular weight of 344.29 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1-methyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1-methyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
PubChem CID145340178
Molecular FormulaC14H15F3N4O3
Molecular Weight344.29 g/mol
Exact Mass344.11
IUPAC Name1-(2-methoxyethyl)-1-methyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
SMILESCOCCN(C)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H15F3N4O3/c1-21(7-8-23-2)13(22)18-10-5-3-9(4-6-10)11-19-12(24-20-11)14(15,16)17/h3-6H,7-8H2,1-2H3,(H,18,22)
InChIKeyIGMRRWPXHVZPGL-UHFFFAOYSA-N
XLogP2.87
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-1-prop-2-enoxy-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 134367014
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 19847727
2-[2-methoxyethyl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]acetic acid
CID 119348135
3-methoxy-1-methyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea
CID 146521115
2-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 134367043
1-methoxy-3,3-bis(2-methoxyethyl)-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea
CID 146521234
methyl N-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamate
CID 151854523
[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl] N-(2-methoxyethyl)carbamate
CID 145340160
N-(2-hydroxyethyl)-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230955
N-[2-(dimethylamino)ethyl]-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71231062
(2S)-2-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 119314171
2,3-difluoro-N-(2-methoxyethyl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropane-1-carboxamide
CID 137362443

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-1-methyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea?
The IUPAC name of 1-(2-methoxyethyl)-1-methyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea (CID 145340178) is 1-(2-methoxyethyl)-1-methyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-1-methyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-1-methyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea is COCCN(C)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of 1-(2-methoxyethyl)-1-methyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea?
The InChIKey is IGMRRWPXHVZPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O3/c1-21(7-8-23-2)13(22)18-10-5-3-9(4-6-10)11-19-12(24-20-11)14(15,16)17/h3-6H,7-8H2,1-2H3,(H,18,22).
What are the key properties of 1-(2-methoxyethyl)-1-methyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea?
1-(2-methoxyethyl)-1-methyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea has a molecular weight of 344.29 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1-methyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea is sourced from PubChem (CID 145340178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).