1-(4-chlorophenyl)-3-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]urea

C18H17ClN4O2 — CID 110321438

IUPAC1-(4-chlorophenyl)-3-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]urea
SMILESCc1ccc(-c2nnc(CCNC(=O)Nc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C18H17ClN4O2/c1-12-2-4-13(5-3-12)17-23-22-16(25-17)10-11-20-18(24)21-15-8-6-14(19)7-9-15/h2-9H,10-11H2,1H3,(H2,20,21,24)
InChIKeyBNJXOBRXSNFICK-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.06
Rot. Bonds5

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

1-(4-chlorophenyl)-3-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]urea (PubChem CID 110321438) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]urea
PubChem CID110321438
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name1-(4-chlorophenyl)-3-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]urea
SMILESCc1ccc(-c2nnc(CCNC(=O)Nc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C18H17ClN4O2/c1-12-2-4-13(5-3-12)17-23-22-16(25-17)10-11-20-18(24)21-15-8-6-14(19)7-9-15/h2-9H,10-11H2,1H3,(H2,20,21,24)
InChIKeyBNJXOBRXSNFICK-UHFFFAOYSA-N
XLogP4.06
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334653
N-[2-(4-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 52906306
N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide
CID 110321394
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzamide
CID 110321629
2,3,4-trifluoro-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321450
1-(4-chlorophenyl)-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]methanesulfonamide
CID 110321497
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(4-methylphenyl)methanesulfonamide
CID 110321691
N-(5-chloro-2-methylphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51229815
N-(3,4-dichlorophenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9071658
ethyl 4-[3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate
CID 110334685
(4-chlorophenyl) 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 134049813
phenyl N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
CID 110321456

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]urea (CID 110321438) is 1-(4-chlorophenyl)-3-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]urea is Cc1ccc(-c2nnc(CCNC(=O)Nc3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]urea?
The InChIKey is BNJXOBRXSNFICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-12-2-4-13(5-3-12)17-23-22-16(25-17)10-11-20-18(24)21-15-8-6-14(19)7-9-15/h2-9H,10-11H2,1H3,(H2,20,21,24).
What are the key properties of 1-(4-chlorophenyl)-3-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]urea?
1-(4-chlorophenyl)-3-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]urea has a molecular weight of 356.81 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]urea is sourced from PubChem (CID 110321438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).