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

C19H17ClN4O2 — CID 50777666

IUPAC1-(2-chlorophenyl)-3-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]urea
SMILESO=C(Nc1cccc(-c2noc(C3CCC3)n2)c1)Nc1ccccc1Cl
InChIInChI=1S/C19H17ClN4O2/c20-15-9-1-2-10-16(15)22-19(25)21-14-8-4-7-13(11-14)17-23-18(26-24-17)12-5-3-6-12/h1-2,4,7-12H,3,5-6H2,(H2,21,22,25)
InChIKeyMFSXIQVZTJNMLI-UHFFFAOYSA-N
MW368.82 g/mol
LogP5.30
Rot. Bonds4

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

1-(2-chlorophenyl)-3-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]urea (PubChem CID 50777666) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]urea
PubChem CID50777666
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name1-(2-chlorophenyl)-3-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]urea
SMILESO=C(Nc1cccc(-c2noc(C3CCC3)n2)c1)Nc1ccccc1Cl
InChIInChI=1S/C19H17ClN4O2/c20-15-9-1-2-10-16(15)22-19(25)21-14-8-4-7-13(11-14)17-23-18(26-24-17)12-5-3-6-12/h1-2,4,7-12H,3,5-6H2,(H2,21,22,25)
InChIKeyMFSXIQVZTJNMLI-UHFFFAOYSA-N
XLogP5.30
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.82
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041787
4-chloro-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041742
1-tert-butyl-3-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 75379397
1-butan-2-yl-3-[3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50777719
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 50778293
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]oxane-4-carboxamide
CID 71856405
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-fluorophenyl)benzamide
CID 50779153
3-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]propanoic acid
CID 122086534
N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-difluorobenzamide
CID 53041769
4-bromo-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041739
methyl 4-[3-[4-[(3-chlorophenyl)carbamoylamino]phenyl]-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxylate
CID 140610312
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 42760859

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]urea (CID 50777666) is 1-(2-chlorophenyl)-3-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]urea is O=C(Nc1cccc(-c2noc(C3CCC3)n2)c1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The InChIKey is MFSXIQVZTJNMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c20-15-9-1-2-10-16(15)22-19(25)21-14-8-4-7-13(11-14)17-23-18(26-24-17)12-5-3-6-12/h1-2,4,7-12H,3,5-6H2,(H2,21,22,25).
What are the key properties of 1-(2-chlorophenyl)-3-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
1-(2-chlorophenyl)-3-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]urea has a molecular weight of 368.82 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]urea is sourced from PubChem (CID 50777666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).