1-(4-chlorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea

C22H16ClN3O2 — CID 46392806

IUPAC1-(4-chlorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2nc(-c3ccccc3)co2)cc1
InChIInChI=1S/C22H16ClN3O2/c23-17-8-12-19(13-9-17)25-22(27)24-18-10-6-16(7-11-18)21-26-20(14-28-21)15-4-2-1-3-5-15/h1-14H,(H2,24,25,27)
InChIKeyDSQPSHWYYBPLRK-UHFFFAOYSA-N
MW389.84 g/mol
LogP6.31
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea

1-(4-chlorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea (PubChem CID 46392806) has the molecular formula C22H16ClN3O2 and a molecular weight of 389.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea
PubChem CID46392806
Molecular FormulaC22H16ClN3O2
Molecular Weight389.84 g/mol
Exact Mass389.09
IUPAC Name1-(4-chlorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2nc(-c3ccccc3)co2)cc1
InChIInChI=1S/C22H16ClN3O2/c23-17-8-12-19(13-9-17)25-22(27)24-18-10-6-16(7-11-18)21-26-20(14-28-21)15-4-2-1-3-5-15/h1-14H,(H2,24,25,27)
InChIKeyDSQPSHWYYBPLRK-UHFFFAOYSA-N
XLogP6.31
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.84
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea (CID 46392806) is 1-(4-chlorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea is O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2nc(-c3ccccc3)co2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea?
The InChIKey is DSQPSHWYYBPLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O2/c23-17-8-12-19(13-9-17)25-22(27)24-18-10-6-16(7-11-18)21-26-20(14-28-21)15-4-2-1-3-5-15/h1-14H,(H2,24,25,27).
What are the key properties of 1-(4-chlorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea?
1-(4-chlorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea has a molecular weight of 389.84 g/mol, XLogP of 6.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea is sourced from PubChem (CID 46392806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).