3-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

C19H26FN3O2 — CID 94117105

IUPAC3-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CN(C)C(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)no1
InChIInChI=1S/C19H26FN3O2/c1-13-10-16(22-25-13)12-23(5)18(24)21-17(11-19(2,3)4)14-6-8-15(20)9-7-14/h6-10,17H,11-12H2,1-5H3,(H,21,24)/t17-/m1/s1
InChIKeyRVOUWPUPCJFBCU-QGZVFWFLSA-N
MW347.43 g/mol
LogP4.44
Rot. Bonds5

About 3-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

3-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (PubChem CID 94117105) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 3-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.

Molecular Properties

Compound Name3-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
PubChem CID94117105
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name3-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CN(C)C(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)no1
InChIInChI=1S/C19H26FN3O2/c1-13-10-16(22-25-13)12-23(5)18(24)21-17(11-19(2,3)4)14-6-8-15(20)9-7-14/h6-10,17H,11-12H2,1-5H3,(H,21,24)/t17-/m1/s1
InChIKeyRVOUWPUPCJFBCU-QGZVFWFLSA-N
XLogP4.44
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The IUPAC name of 3-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (CID 94117105) is 3-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.
What is the SMILES notation for 3-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The canonical SMILES for 3-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is Cc1cc(CN(C)C(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)no1.
What is the InChIKey of 3-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The InChIKey is RVOUWPUPCJFBCU-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-13-10-16(22-25-13)12-23(5)18(24)21-17(11-19(2,3)4)14-6-8-15(20)9-7-14/h6-10,17H,11-12H2,1-5H3,(H,21,24)/t17-/m1/s1.
What are the key properties of 3-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
3-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea has a molecular weight of 347.43 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is sourced from PubChem (CID 94117105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).