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

C22H17ClN4O2 — CID 46387989

IUPAC1-(3-chloro-4-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESCc1ccc(NC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1Cl
InChIInChI=1S/C22H17ClN4O2/c1-14-10-11-18(13-19(14)23)25-22(28)24-17-9-5-8-16(12-17)21-27-26-20(29-21)15-6-3-2-4-7-15/h2-13H,1H3,(H2,24,25,28)
InChIKeyCGHYTLVMRASNTB-UHFFFAOYSA-N
MW404.86 g/mol
LogP6.01
Rot. Bonds4

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

1-(3-chloro-4-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea (PubChem CID 46387989) has the molecular formula C22H17ClN4O2 and a molecular weight of 404.86 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
PubChem CID46387989
Molecular FormulaC22H17ClN4O2
Molecular Weight404.86 g/mol
Exact Mass404.10
IUPAC Name1-(3-chloro-4-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESCc1ccc(NC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1Cl
InChIInChI=1S/C22H17ClN4O2/c1-14-10-11-18(13-19(14)23)25-22(28)24-17-9-5-8-16(12-17)21-27-26-20(29-21)15-6-3-2-4-7-15/h2-13H,1H3,(H2,24,25,28)
InChIKeyCGHYTLVMRASNTB-UHFFFAOYSA-N
XLogP6.01
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.86
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 46387996
1-(2,4-dimethylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50830004
1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea
CID 108866984
methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoylamino]benzoate
CID 46387997
1-(3-chloro-2-methylphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 46384272
1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 46388056
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)urea
CID 727838
1-(2-methoxy-5-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50829918
1-[3-(2-amino-5-phenyl-3H-pyrrol-4-yl)phenyl]-3-(3-chloro-4-methylphenyl)urea
CID 163481561
4-[5-(3-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 126755771
1-(3-chloro-4-methylphenyl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea
CID 70940291
2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
CID 17359293

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea (CID 46387989) is 1-(3-chloro-4-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea is Cc1ccc(NC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
The InChIKey is CGHYTLVMRASNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O2/c1-14-10-11-18(13-19(14)23)25-22(28)24-17-9-5-8-16(12-17)21-27-26-20(29-21)15-6-3-2-4-7-15/h2-13H,1H3,(H2,24,25,28).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
1-(3-chloro-4-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea has a molecular weight of 404.86 g/mol, XLogP of 6.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea is sourced from PubChem (CID 46387989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).