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

C23H20N4O3 — CID 50829918

IUPAC1-(2-methoxy-5-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C23H20N4O3/c1-15-11-12-20(29-2)19(13-15)25-23(28)24-18-10-6-9-17(14-18)22-27-26-21(30-22)16-7-4-3-5-8-16/h3-14H,1-2H3,(H2,24,25,28)
InChIKeyVSWXDUPTRTZCBM-UHFFFAOYSA-N
MW400.44 g/mol
LogP5.36
Rot. Bonds5

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

1-(2-methoxy-5-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea (PubChem CID 50829918) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
PubChem CID50829918
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C23H20N4O3/c1-15-11-12-20(29-2)19(13-15)25-23(28)24-18-10-6-9-17(14-18)22-27-26-21(30-22)16-7-4-3-5-8-16/h3-14H,1-2H3,(H2,24,25,28)
InChIKeyVSWXDUPTRTZCBM-UHFFFAOYSA-N
XLogP5.36
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.44
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50830004
1-(3-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 46387996
methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoylamino]benzoate
CID 46387997
1-(2-methoxy-5-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 51062441
N-(2-methoxy-5-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 29206098
1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50827293
2-(3,4-dimethoxyphenyl)-N-[3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 2233014
1-(3-chloro-4-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 46387989
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
ethane;N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxy-5-methylbenzamide
CID 142440037
1-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)urea
CID 47322508
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-(2-methoxy-5-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea (CID 50829918) is 1-(2-methoxy-5-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea is COc1ccc(C)cc1NC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
The InChIKey is VSWXDUPTRTZCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-15-11-12-20(29-2)19(13-15)25-23(28)24-18-10-6-9-17(14-18)22-27-26-21(30-22)16-7-4-3-5-8-16/h3-14H,1-2H3,(H2,24,25,28).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
1-(2-methoxy-5-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea has a molecular weight of 400.44 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea is sourced from PubChem (CID 50829918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).