1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea

C16H17F2N3O2 — CID 119069149

IUPAC1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea
SMILESCN(Cc1cc(C2CC2)on1)C(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C16H17F2N3O2/c1-21(9-14-7-15(23-20-14)11-2-3-11)16(22)19-8-10-4-12(17)6-13(18)5-10/h4-7,11H,2-3,8-9H2,1H3,(H,19,22)
InChIKeyJMQWCWVMMFKSDE-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.17
Rot. Bonds5

About 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea

1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea (PubChem CID 119069149) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea
PubChem CID119069149
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea
SMILESCN(Cc1cc(C2CC2)on1)C(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C16H17F2N3O2/c1-21(9-14-7-15(23-20-14)11-2-3-11)16(22)19-8-10-4-12(17)6-13(18)5-10/h4-7,11H,2-3,8-9H2,1H3,(H,19,22)
InChIKeyJMQWCWVMMFKSDE-UHFFFAOYSA-N
XLogP3.17
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea?
The IUPAC name of 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea (CID 119069149) is 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea.
What is the SMILES notation for 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea?
The canonical SMILES for 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea is CN(Cc1cc(C2CC2)on1)C(=O)NCc1cc(F)cc(F)c1.
What is the InChIKey of 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea?
The InChIKey is JMQWCWVMMFKSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-21(9-14-7-15(23-20-14)11-2-3-11)16(22)19-8-10-4-12(17)6-13(18)5-10/h4-7,11H,2-3,8-9H2,1H3,(H,19,22).
What are the key properties of 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea?
1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea has a molecular weight of 321.33 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea is sourced from PubChem (CID 119069149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).