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

C23H18FN3O2 — CID 24831581

IUPAC1-(2-fluorophenyl)-3-[4-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]phenyl]urea
SMILESCc1ccc(-c2cnco2)cc1-c1ccc(NC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C23H18FN3O2/c1-15-6-7-17(22-13-25-14-29-22)12-19(15)16-8-10-18(11-9-16)26-23(28)27-21-5-3-2-4-20(21)24/h2-14H,1H3,(H2,26,27,28)
InChIKeyLTNWPTGSBYYSMS-UHFFFAOYSA-N
MW387.41 g/mol
LogP6.10
Rot. Bonds4

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

1-(2-fluorophenyl)-3-[4-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]phenyl]urea (PubChem CID 24831581) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[4-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]phenyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[4-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]phenyl]urea
PubChem CID24831581
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC Name1-(2-fluorophenyl)-3-[4-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]phenyl]urea
SMILESCc1ccc(-c2cnco2)cc1-c1ccc(NC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C23H18FN3O2/c1-15-6-7-17(22-13-25-14-29-22)12-19(15)16-8-10-18(11-9-16)26-23(28)27-21-5-3-2-4-20(21)24/h2-14H,1H3,(H2,26,27,28)
InChIKeyLTNWPTGSBYYSMS-UHFFFAOYSA-N
XLogP6.10
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.41
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[4-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]phenyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[4-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]phenyl]urea (CID 24831581) is 1-(2-fluorophenyl)-3-[4-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]phenyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[4-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]phenyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[4-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]phenyl]urea is Cc1ccc(-c2cnco2)cc1-c1ccc(NC(=O)Nc2ccccc2F)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[4-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]phenyl]urea?
The InChIKey is LTNWPTGSBYYSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c1-15-6-7-17(22-13-25-14-29-22)12-19(15)16-8-10-18(11-9-16)26-23(28)27-21-5-3-2-4-20(21)24/h2-14H,1H3,(H2,26,27,28).
What are the key properties of 1-(2-fluorophenyl)-3-[4-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]phenyl]urea?
1-(2-fluorophenyl)-3-[4-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]phenyl]urea has a molecular weight of 387.41 g/mol, XLogP of 6.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[4-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]phenyl]urea is sourced from PubChem (CID 24831581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).