1-[(3-chlorophenyl)methyl]-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea

C17H15ClN4O2 — CID 110615846

IUPAC1-[(3-chlorophenyl)methyl]-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
SMILESO=C(NCc1cccc(Cl)c1)NCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H15ClN4O2/c18-14-8-4-5-12(9-14)10-19-17(23)20-11-15-21-22-16(24-15)13-6-2-1-3-7-13/h1-9H,10-11H2,(H2,19,20,23)
InChIKeyIFGJLARHMWEGNG-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.39
Rot. Bonds5

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

1-[(3-chlorophenyl)methyl]-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea (PubChem CID 110615846) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
PubChem CID110615846
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name1-[(3-chlorophenyl)methyl]-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
SMILESO=C(NCc1cccc(Cl)c1)NCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H15ClN4O2/c18-14-8-4-5-12(9-14)10-19-17(23)20-11-15-21-22-16(24-15)13-6-2-1-3-7-13/h1-9H,10-11H2,(H2,19,20,23)
InChIKeyIFGJLARHMWEGNG-UHFFFAOYSA-N
XLogP3.39
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110318453
2-(2,4-dichlorophenoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318447
2-(5-chloro-1H-indol-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110606864
2-[[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 9258221
N-benzyl-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1139618
1-(3-fluorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 60976880
N-[2-(3-chlorophenyl)ethyl]-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330549
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 9364281
2-[(3-chlorophenyl)methylcarbamoylamino]-N-phenylacetamide
CID 110304605
1-(3-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 60975667
2-(2,4-dichlorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 110651658
1-[[5-[(3-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea
CID 9189834

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea (CID 110615846) is 1-[(3-chlorophenyl)methyl]-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea is O=C(NCc1cccc(Cl)c1)NCc1nnc(-c2ccccc2)o1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The InChIKey is IFGJLARHMWEGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c18-14-8-4-5-12(9-14)10-19-17(23)20-11-15-21-22-16(24-15)13-6-2-1-3-7-13/h1-9H,10-11H2,(H2,19,20,23).
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea?
1-[(3-chlorophenyl)methyl]-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea has a molecular weight of 342.79 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea is sourced from PubChem (CID 110615846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).