1-[4-[4-(3-bromophenyl)-1,3-oxazol-2-yl]phenyl]-3-(2-methoxy-5-methylphenyl)urea

C24H20BrN3O3 — CID 50835711

IUPAC1-[4-[4-(3-bromophenyl)-1,3-oxazol-2-yl]phenyl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1ccc(-c2nc(-c3cccc(Br)c3)co2)cc1
InChIInChI=1S/C24H20BrN3O3/c1-15-6-11-22(30-2)20(12-15)28-24(29)26-19-9-7-16(8-10-19)23-27-21(14-31-23)17-4-3-5-18(25)13-17/h3-14H,1-2H3,(H2,26,28,29)
InChIKeyDCEOUTRVFHKFDS-UHFFFAOYSA-N
MW478.35 g/mol
LogP6.73
Rot. Bonds5

About 1-[4-[4-(3-bromophenyl)-1,3-oxazol-2-yl]phenyl]-3-(2-methoxy-5-methylphenyl)urea

1-[4-[4-(3-bromophenyl)-1,3-oxazol-2-yl]phenyl]-3-(2-methoxy-5-methylphenyl)urea (PubChem CID 50835711) has the molecular formula C24H20BrN3O3 and a molecular weight of 478.35 g/mol. Its IUPAC name is 1-[4-[4-(3-bromophenyl)-1,3-oxazol-2-yl]phenyl]-3-(2-methoxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-[4-(3-bromophenyl)-1,3-oxazol-2-yl]phenyl]-3-(2-methoxy-5-methylphenyl)urea
PubChem CID50835711
Molecular FormulaC24H20BrN3O3
Molecular Weight478.35 g/mol
Exact Mass477.07
IUPAC Name1-[4-[4-(3-bromophenyl)-1,3-oxazol-2-yl]phenyl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1ccc(-c2nc(-c3cccc(Br)c3)co2)cc1
InChIInChI=1S/C24H20BrN3O3/c1-15-6-11-22(30-2)20(12-15)28-24(29)26-19-9-7-16(8-10-19)23-27-21(14-31-23)17-4-3-5-18(25)13-17/h3-14H,1-2H3,(H2,26,28,29)
InChIKeyDCEOUTRVFHKFDS-UHFFFAOYSA-N
XLogP6.73
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.35
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[4-(3-bromophenyl)-1,3-oxazol-2-yl]phenyl]-3-(2-methoxy-5-methylphenyl)urea with MolForge

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Related Compounds

1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 17284854
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
1-(3,4-dimethoxyphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 46392853
1-(3-chloro-4-methoxyphenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea
CID 46392848
1-[4-[4-(2,5-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 46392912
1-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)urea
CID 47322508
1-(2-methoxy-5-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50829918
1-(4-bromo-2-fluorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea
CID 46392821
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2-methoxy-5-methylphenyl)urea
CID 46381160
1-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-(4-methylphenyl)urea
CID 50835614
1-(4-chlorophenyl)-3-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 46377439
N-(2-methoxy-5-methylphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34803649

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-bromophenyl)-1,3-oxazol-2-yl]phenyl]-3-(2-methoxy-5-methylphenyl)urea?
The IUPAC name of 1-[4-[4-(3-bromophenyl)-1,3-oxazol-2-yl]phenyl]-3-(2-methoxy-5-methylphenyl)urea (CID 50835711) is 1-[4-[4-(3-bromophenyl)-1,3-oxazol-2-yl]phenyl]-3-(2-methoxy-5-methylphenyl)urea.
What is the SMILES notation for 1-[4-[4-(3-bromophenyl)-1,3-oxazol-2-yl]phenyl]-3-(2-methoxy-5-methylphenyl)urea?
The canonical SMILES for 1-[4-[4-(3-bromophenyl)-1,3-oxazol-2-yl]phenyl]-3-(2-methoxy-5-methylphenyl)urea is COc1ccc(C)cc1NC(=O)Nc1ccc(-c2nc(-c3cccc(Br)c3)co2)cc1.
What is the InChIKey of 1-[4-[4-(3-bromophenyl)-1,3-oxazol-2-yl]phenyl]-3-(2-methoxy-5-methylphenyl)urea?
The InChIKey is DCEOUTRVFHKFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrN3O3/c1-15-6-11-22(30-2)20(12-15)28-24(29)26-19-9-7-16(8-10-19)23-27-21(14-31-23)17-4-3-5-18(25)13-17/h3-14H,1-2H3,(H2,26,28,29).
What are the key properties of 1-[4-[4-(3-bromophenyl)-1,3-oxazol-2-yl]phenyl]-3-(2-methoxy-5-methylphenyl)urea?
1-[4-[4-(3-bromophenyl)-1,3-oxazol-2-yl]phenyl]-3-(2-methoxy-5-methylphenyl)urea has a molecular weight of 478.35 g/mol, XLogP of 6.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3-bromophenyl)-1,3-oxazol-2-yl]phenyl]-3-(2-methoxy-5-methylphenyl)urea is sourced from PubChem (CID 50835711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).