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

C26H23N3O3 — CID 46392854

IUPAC1-(3-acetylphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea
SMILESCC(=O)c1cccc(NC(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)c1
InChIInChI=1S/C26H23N3O3/c1-16-7-12-23(17(2)13-16)24-15-32-25(29-24)19-8-10-21(11-9-19)27-26(31)28-22-6-4-5-20(14-22)18(3)30/h4-15H,1-3H3,(H2,27,28,31)
InChIKeyJOSFCAYUGHJWMD-UHFFFAOYSA-N
MW425.49 g/mol
LogP6.47
Rot. Bonds5

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

1-(3-acetylphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea (PubChem CID 46392854) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea
PubChem CID46392854
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name1-(3-acetylphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea
SMILESCC(=O)c1cccc(NC(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)c1
InChIInChI=1S/C26H23N3O3/c1-16-7-12-23(17(2)13-16)24-15-32-25(29-24)19-8-10-21(11-9-19)27-26(31)28-22-6-4-5-20(14-22)18(3)30/h4-15H,1-3H3,(H2,27,28,31)
InChIKeyJOSFCAYUGHJWMD-UHFFFAOYSA-N
XLogP6.47
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-(4-methylphenyl)urea
CID 50835614
1-(3,4-dimethoxyphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 46392853
1-(1,3-benzodioxol-5-yl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 46392869
N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide
CID 46392772
1-(4-chlorophenyl)-3-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 46377439
1-[4-[4-(2,5-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 46392912
1-(4-fluorophenyl)-3-[4-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 50835548
N-[4-[4-(2,5-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-2,2-dimethylpropanamide
CID 46392788
1-[3-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 53338461
N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-methoxybenzenesulfonamide
CID 46390297
1-(3-acetylphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 108991665
1-[4-[4-(3-bromophenyl)-1,3-oxazol-2-yl]phenyl]-3-(2-methoxy-5-methylphenyl)urea
CID 50835711

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea (CID 46392854) is 1-(3-acetylphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea is CC(=O)c1cccc(NC(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea?
The InChIKey is JOSFCAYUGHJWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-16-7-12-23(17(2)13-16)24-15-32-25(29-24)19-8-10-21(11-9-19)27-26(31)28-22-6-4-5-20(14-22)18(3)30/h4-15H,1-3H3,(H2,27,28,31).
What are the key properties of 1-(3-acetylphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea?
1-(3-acetylphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea has a molecular weight of 425.49 g/mol, XLogP of 6.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea is sourced from PubChem (CID 46392854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).