1-butan-2-yl-3-[3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenyl]urea

C19H26N4O2 — CID 50777719

IUPAC1-butan-2-yl-3-[3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenyl]urea
SMILESCCC(C)NC(=O)Nc1cccc(-c2noc(C3CCCCC3)n2)c1
InChIInChI=1S/C19H26N4O2/c1-3-13(2)20-19(24)21-16-11-7-10-15(12-16)17-22-18(25-23-17)14-8-5-4-6-9-14/h7,10-14H,3-6,8-9H2,1-2H3,(H2,20,21,24)
InChIKeyNIHOWSWWEHMXIK-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.70
Rot. Bonds5

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

1-butan-2-yl-3-[3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenyl]urea (PubChem CID 50777719) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-butan-2-yl-3-[3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-butan-2-yl-3-[3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenyl]urea
PubChem CID50777719
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-butan-2-yl-3-[3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenyl]urea
SMILESCCC(C)NC(=O)Nc1cccc(-c2noc(C3CCCCC3)n2)c1
InChIInChI=1S/C19H26N4O2/c1-3-13(2)20-19(24)21-16-11-7-10-15(12-16)17-22-18(25-23-17)14-8-5-4-6-9-14/h7,10-14H,3-6,8-9H2,1-2H3,(H2,20,21,24)
InChIKeyNIHOWSWWEHMXIK-UHFFFAOYSA-N
XLogP4.70
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-butan-2-yl]-3-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 92888759
1-butan-2-yl-3-[3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 50777556
1-tert-butyl-3-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 75379397
1-butan-2-yl-3-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 46321489
1-[(2R)-butan-2-yl]-3-[3-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 92888791
1-[(2S)-butan-2-yl]-3-[3-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 92888792
(3R)-N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 95283267
1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(3R)-1-ethylpiperidin-3-yl]urea
CID 166301606
N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 53041779
4-chloro-N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041787
1-(2-chlorophenyl)-3-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50777666
1-[(2R)-butan-2-yl]-3-[3-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 92868277

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The IUPAC name of 1-butan-2-yl-3-[3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenyl]urea (CID 50777719) is 1-butan-2-yl-3-[3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenyl]urea.
What is the SMILES notation for 1-butan-2-yl-3-[3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The canonical SMILES for 1-butan-2-yl-3-[3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenyl]urea is CCC(C)NC(=O)Nc1cccc(-c2noc(C3CCCCC3)n2)c1.
What is the InChIKey of 1-butan-2-yl-3-[3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The InChIKey is NIHOWSWWEHMXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-13(2)20-19(24)21-16-11-7-10-15(12-16)17-22-18(25-23-17)14-8-5-4-6-9-14/h7,10-14H,3-6,8-9H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-butan-2-yl-3-[3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
1-butan-2-yl-3-[3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenyl]urea has a molecular weight of 342.44 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenyl]urea is sourced from PubChem (CID 50777719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).