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

C15H16F3N3O2 — CID 119099354

IUPAC1-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCc1cc(CCCNC(=O)Nc2ccccc2C(F)(F)F)on1
InChIInChI=1S/C15H16F3N3O2/c1-10-9-11(23-21-10)5-4-8-19-14(22)20-13-7-3-2-6-12(13)15(16,17)18/h2-3,6-7,9H,4-5,8H2,1H3,(H2,19,20,22)
InChIKeyNIJDLHWYYFYISZ-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.76
Rot. Bonds5

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

1-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 119099354) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 1-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID119099354
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name1-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCc1cc(CCCNC(=O)Nc2ccccc2C(F)(F)F)on1
InChIInChI=1S/C15H16F3N3O2/c1-10-9-11(23-21-10)5-4-8-19-14(22)20-13-7-3-2-6-12(13)15(16,17)18/h2-3,6-7,9H,4-5,8H2,1H3,(H2,19,20,22)
InChIKeyNIJDLHWYYFYISZ-UHFFFAOYSA-N
XLogP3.76
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(trifluoromethyl)aniline
CID 62312935
1-[3-(1H-pyrazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 99799726
1-(5-hydroxypentyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108887689
1-[3-(cyclopropylamino)propyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 61315173
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110650465
1-[(5-methyl-1,2-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 119101576
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(trifluoromethyl)phenyl]butanamide
CID 108787713
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 978007
N-(2-ethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 67575573
1-(3-hydroxy-4,4-dimethylpentyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 90523655
N-pentyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108951939
N-methyl-3-(3-methyl-1,2-oxazol-5-yl)propan-1-amine
CID 177319850

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea (CID 119099354) is 1-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea is Cc1cc(CCCNC(=O)Nc2ccccc2C(F)(F)F)on1.
What is the InChIKey of 1-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is NIJDLHWYYFYISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-10-9-11(23-21-10)5-4-8-19-14(22)20-13-7-3-2-6-12(13)15(16,17)18/h2-3,6-7,9H,4-5,8H2,1H3,(H2,19,20,22).
What are the key properties of 1-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea?
1-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 327.31 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 119099354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).