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

C18H17ClN4O2 — CID 110323762

IUPAC1-(3-chlorophenyl)-3-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
SMILESCc1cccc(-c2noc(CCNC(=O)Nc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C18H17ClN4O2/c1-12-4-2-5-13(10-12)17-22-16(25-23-17)8-9-20-18(24)21-15-7-3-6-14(19)11-15/h2-7,10-11H,8-9H2,1H3,(H2,20,21,24)
InChIKeyQJJQMTKVPRUZIB-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.06
Rot. Bonds5

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

1-(3-chlorophenyl)-3-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea (PubChem CID 110323762) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
PubChem CID110323762
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name1-(3-chlorophenyl)-3-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
SMILESCc1cccc(-c2noc(CCNC(=O)Nc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C18H17ClN4O2/c1-12-4-2-5-13(10-12)17-22-16(25-23-17)8-9-20-18(24)21-15-7-3-6-14(19)11-15/h2-7,10-11H,8-9H2,1H3,(H2,20,21,24)
InChIKeyQJJQMTKVPRUZIB-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

1-(3-chlorophenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 6462207
1-(3-chlorophenyl)-3-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
CID 110323648
1-(3-methylphenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 6461873
4-methyl-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323732
2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111813747
(2R)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide
CID 119326200
3,4-difluoro-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323773
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-3-(methylamino)propanamide
CID 119787997
(2S)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide;hydrochloride
CID 119788016
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-methylpyridine-3-carboxamide
CID 71931147
1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-3-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111588142
N-(3-bromophenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 99773154

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea (CID 110323762) is 1-(3-chlorophenyl)-3-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea is Cc1cccc(-c2noc(CCNC(=O)Nc3cccc(Cl)c3)n2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea?
The InChIKey is QJJQMTKVPRUZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-12-4-2-5-13(10-12)17-22-16(25-23-17)8-9-20-18(24)21-15-7-3-6-14(19)11-15/h2-7,10-11H,8-9H2,1H3,(H2,20,21,24).
What are the key properties of 1-(3-chlorophenyl)-3-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea?
1-(3-chlorophenyl)-3-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-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-(3-chlorophenyl)-3-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea is sourced from PubChem (CID 110323762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).