1-[(2,6-difluorophenyl)methyl]-3-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]urea

C24H19F2N3O2 — CID 141295972

IUPAC1-[(2,6-difluorophenyl)methyl]-3-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]urea
SMILESCc1noc(-c2ccc(-c3ccccc3)cc2)c1NC(=O)NCc1c(F)cccc1F
InChIInChI=1S/C24H19F2N3O2/c1-15-22(28-24(30)27-14-19-20(25)8-5-9-21(19)26)23(31-29-15)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H2,27,28,30)
InChIKeyZATIURRFCHJHMU-UHFFFAOYSA-N
MW419.43 g/mol
LogP5.92
Rot. Bonds5

About 1-[(2,6-difluorophenyl)methyl]-3-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]urea

1-[(2,6-difluorophenyl)methyl]-3-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]urea (PubChem CID 141295972) has the molecular formula C24H19F2N3O2 and a molecular weight of 419.43 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-3-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]urea.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-3-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]urea
PubChem CID141295972
Molecular FormulaC24H19F2N3O2
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC Name1-[(2,6-difluorophenyl)methyl]-3-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]urea
SMILESCc1noc(-c2ccc(-c3ccccc3)cc2)c1NC(=O)NCc1c(F)cccc1F
InChIInChI=1S/C24H19F2N3O2/c1-15-22(28-24(30)27-14-19-20(25)8-5-9-21(19)26)23(31-29-15)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H2,27,28,30)
InChIKeyZATIURRFCHJHMU-UHFFFAOYSA-N
XLogP5.92
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.43
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-3-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]urea?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-3-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]urea (CID 141295972) is 1-[(2,6-difluorophenyl)methyl]-3-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]urea.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-3-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]urea?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-3-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]urea is Cc1noc(-c2ccc(-c3ccccc3)cc2)c1NC(=O)NCc1c(F)cccc1F.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-3-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]urea?
The InChIKey is ZATIURRFCHJHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O2/c1-15-22(28-24(30)27-14-19-20(25)8-5-9-21(19)26)23(31-29-15)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H2,27,28,30).
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-3-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]urea?
1-[(2,6-difluorophenyl)methyl]-3-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]urea has a molecular weight of 419.43 g/mol, XLogP of 5.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-3-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]urea is sourced from PubChem (CID 141295972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).