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

C16H18F3N3O2 — CID 86999776

IUPAC1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
SMILESCc1cc(CN(C)C(=O)NC(C)c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C16H18F3N3O2/c1-10-7-14(21-24-10)9-22(3)15(23)20-11(2)12-5-4-6-13(8-12)16(17,18)19/h4-8,11H,9H2,1-3H3,(H,20,23)
InChIKeyVSTBZCFAIHYADU-UHFFFAOYSA-N
MW341.33 g/mol
LogP3.90
Rot. Bonds4

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

1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 86999776) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID86999776
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC Name1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
SMILESCc1cc(CN(C)C(=O)NC(C)c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C16H18F3N3O2/c1-10-7-14(21-24-10)9-22(3)15(23)20-11(2)12-5-4-6-13(8-12)16(17,18)19/h4-8,11H,9H2,1-3H3,(H,20,23)
InChIKeyVSTBZCFAIHYADU-UHFFFAOYSA-N
XLogP3.90
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]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

1-[(2,5-dimethoxyphenyl)methyl]-1-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 86867215
1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 51126470
3-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 94117105
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylurea
CID 94251751
(3S)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 41173464
cis-(1S,2R)-2-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 51968750
N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78778424
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 47039377
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177
1-methyl-1-[1-(3-nitrophenyl)ethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 42952618
N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide
CID 112764056
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-methyl-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 78889726

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea (CID 86999776) is 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea is Cc1cc(CN(C)C(=O)NC(C)c2cccc(C(F)(F)F)c2)no1.
What is the InChIKey of 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is VSTBZCFAIHYADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-10-7-14(21-24-10)9-22(3)15(23)20-11(2)12-5-4-6-13(8-12)16(17,18)19/h4-8,11H,9H2,1-3H3,(H,20,23).
What are the key properties of 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea?
1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 341.33 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 86999776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).