1-benzyl-1-(2,2-difluoroethyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea

C16H19F2N3O2 — CID 71919606

IUPAC1-benzyl-1-(2,2-difluoroethyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
SMILESCc1nc(CNC(=O)N(Cc2ccccc2)CC(F)F)oc1C
InChIInChI=1S/C16H19F2N3O2/c1-11-12(2)23-15(20-11)8-19-16(22)21(10-14(17)18)9-13-6-4-3-5-7-13/h3-7,14H,8-10H2,1-2H3,(H,19,22)
InChIKeyXJDSVOPGUTWGTH-UHFFFAOYSA-N
MW323.34 g/mol
LogP3.27
Rot. Bonds6

About 1-benzyl-1-(2,2-difluoroethyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea

1-benzyl-1-(2,2-difluoroethyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea (PubChem CID 71919606) has the molecular formula C16H19F2N3O2 and a molecular weight of 323.34 g/mol. Its IUPAC name is 1-benzyl-1-(2,2-difluoroethyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-benzyl-1-(2,2-difluoroethyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
PubChem CID71919606
Molecular FormulaC16H19F2N3O2
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Name1-benzyl-1-(2,2-difluoroethyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
SMILESCc1nc(CNC(=O)N(Cc2ccccc2)CC(F)F)oc1C
InChIInChI=1S/C16H19F2N3O2/c1-11-12(2)23-15(20-11)8-19-16(22)21(10-14(17)18)9-13-6-4-3-5-7-13/h3-7,14H,8-10H2,1-2H3,(H,19,22)
InChIKeyXJDSVOPGUTWGTH-UHFFFAOYSA-N
XLogP3.27
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(2,2-difluoroethyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea?
The IUPAC name of 1-benzyl-1-(2,2-difluoroethyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea (CID 71919606) is 1-benzyl-1-(2,2-difluoroethyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea.
What is the SMILES notation for 1-benzyl-1-(2,2-difluoroethyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea?
The canonical SMILES for 1-benzyl-1-(2,2-difluoroethyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea is Cc1nc(CNC(=O)N(Cc2ccccc2)CC(F)F)oc1C.
What is the InChIKey of 1-benzyl-1-(2,2-difluoroethyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea?
The InChIKey is XJDSVOPGUTWGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2/c1-11-12(2)23-15(20-11)8-19-16(22)21(10-14(17)18)9-13-6-4-3-5-7-13/h3-7,14H,8-10H2,1-2H3,(H,19,22).
What are the key properties of 1-benzyl-1-(2,2-difluoroethyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea?
1-benzyl-1-(2,2-difluoroethyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea has a molecular weight of 323.34 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(2,2-difluoroethyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea is sourced from PubChem (CID 71919606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).