1-butyl-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea

C10H14F3N3O2 — CID 14578078

IUPAC1-butyl-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea
SMILESCCCCN(C)C(=O)Nc1cc(C(F)(F)F)no1
InChIInChI=1S/C10H14F3N3O2/c1-3-4-5-16(2)9(17)14-8-6-7(15-18-8)10(11,12)13/h6H,3-5H2,1-2H3,(H,14,17)
InChIKeyZOZMKGPEEBWPDD-UHFFFAOYSA-N
MW265.23 g/mol
LogP2.96
Rot. Bonds4

About 1-butyl-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea

1-butyl-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea (PubChem CID 14578078) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 1-butyl-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea.

Molecular Properties

Compound Name1-butyl-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea
PubChem CID14578078
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name1-butyl-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea
SMILESCCCCN(C)C(=O)Nc1cc(C(F)(F)F)no1
InChIInChI=1S/C10H14F3N3O2/c1-3-4-5-16(2)9(17)14-8-6-7(15-18-8)10(11,12)13/h6H,3-5H2,1-2H3,(H,14,17)
InChIKeyZOZMKGPEEBWPDD-UHFFFAOYSA-N
XLogP2.96
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-butyl-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-(trifluoromethyl)-1,2-oxazol-5-yl)acetamide
CID 21279278
N1-(3-methyl-5-isoxazolyl)acetamide
CID 289987
N-Butyl-3-methylisoxazol-5-amine
CID 23009553
Isoxazole, 5-(2-(dimethylamino)acetamido)-3-methyl-
CID 56099
Isoxazole, 5-(2-(diethylamino)acetamido)-3-methyl-
CID 56191
Propionamide, 2-(diethylamino)-N-(3-methyl-5-isoxazolyl)-
CID 3022028
3-methyl-N-(2-methylpropyl)-1,2-oxazol-5-amine
CID 73349507
N-Ethyl-3-methyl-1,2-oxazol-5-amine
CID 12446345
N-ethyl-2-[ethyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]acetamide
CID 32004466
1-(1,4-Dithian-2-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 72101420
2-chloro-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]carbamoyl]acetamide
CID 14050892
[3-(Trifluoromethyl)-1,2-oxazol-5-yl]urea
CID 14578079

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea?
The IUPAC name of 1-butyl-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea (CID 14578078) is 1-butyl-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea.
What is the SMILES notation for 1-butyl-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea?
The canonical SMILES for 1-butyl-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea is CCCCN(C)C(=O)Nc1cc(C(F)(F)F)no1.
What is the InChIKey of 1-butyl-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea?
The InChIKey is ZOZMKGPEEBWPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-3-4-5-16(2)9(17)14-8-6-7(15-18-8)10(11,12)13/h6H,3-5H2,1-2H3,(H,14,17).
What are the key properties of 1-butyl-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea?
1-butyl-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea has a molecular weight of 265.23 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea is sourced from PubChem (CID 14578078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).