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

C23H18ClN3O3 — CID 46392848

IUPAC1-(3-chloro-4-methoxyphenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2ccc(-c3nc(-c4ccccc4)co3)cc2)cc1Cl
InChIInChI=1S/C23H18ClN3O3/c1-29-21-12-11-18(13-19(21)24)26-23(28)25-17-9-7-16(8-10-17)22-27-20(14-30-22)15-5-3-2-4-6-15/h2-14H,1H3,(H2,25,26,28)
InChIKeyXFNDXUPRCUZDKS-UHFFFAOYSA-N
MW419.87 g/mol
LogP6.31
Rot. Bonds5

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

1-(3-chloro-4-methoxyphenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea (PubChem CID 46392848) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea
PubChem CID46392848
Molecular FormulaC23H18ClN3O3
Molecular Weight419.87 g/mol
Exact Mass419.10
IUPAC Name1-(3-chloro-4-methoxyphenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2ccc(-c3nc(-c4ccccc4)co3)cc2)cc1Cl
InChIInChI=1S/C23H18ClN3O3/c1-29-21-12-11-18(13-19(21)24)26-23(28)25-17-9-7-16(8-10-17)22-27-20(14-30-22)15-5-3-2-4-6-15/h2-14H,1H3,(H2,25,26,28)
InChIKeyXFNDXUPRCUZDKS-UHFFFAOYSA-N
XLogP6.31
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.87
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea
CID 46392806
3,4,5-trimethoxy-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide
CID 46392754
N-(3-chloro-4-methoxyphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 26735908
1-(4-chlorophenyl)-3-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 46377439
1-(4-benzoylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
CID 56695004
1-(3,4-dimethoxyphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 46392853
1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50827293
N-(3-chloro-4-methoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16614455
1-(4-bromo-2-fluorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea
CID 46392821
1-(3-chloro-4-methoxyphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50777590
1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
CID 17265364
4-methyl-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide
CID 50835495

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea (CID 46392848) is 1-(3-chloro-4-methoxyphenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea is COc1ccc(NC(=O)Nc2ccc(-c3nc(-c4ccccc4)co3)cc2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea?
The InChIKey is XFNDXUPRCUZDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c1-29-21-12-11-18(13-19(21)24)26-23(28)25-17-9-7-16(8-10-17)22-27-20(14-30-22)15-5-3-2-4-6-15/h2-14H,1H3,(H2,25,26,28).
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea?
1-(3-chloro-4-methoxyphenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea has a molecular weight of 419.87 g/mol, XLogP of 6.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea is sourced from PubChem (CID 46392848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).