1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

C23H24N4O2 — CID 50778293

IUPAC1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESO=C(Nc1ccc(-c2noc(C3CCC3)n2)cc1)Nc1cccc2c1CCCC2
InChIInChI=1S/C23H24N4O2/c28-23(25-20-10-4-6-15-5-1-2-9-19(15)20)24-18-13-11-16(12-14-18)21-26-22(29-27-21)17-7-3-8-17/h4,6,10-14,17H,1-3,5,7-9H2,(H2,24,25,28)
InChIKeyUFPYECWINQDIAO-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.53
Rot. Bonds4

About 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (PubChem CID 50778293) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
PubChem CID50778293
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESO=C(Nc1ccc(-c2noc(C3CCC3)n2)cc1)Nc1cccc2c1CCCC2
InChIInChI=1S/C23H24N4O2/c28-23(25-20-10-4-6-15-5-1-2-9-19(15)20)24-18-13-11-16(12-14-18)21-26-22(29-27-21)17-7-3-8-17/h4,6,10-14,17H,1-3,5,7-9H2,(H2,24,25,28)
InChIKeyUFPYECWINQDIAO-UHFFFAOYSA-N
XLogP5.53
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 46321383
1-(2-chlorophenyl)-3-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50777666
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 50777725
1-(4-aminophenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 43468950
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 61339415
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-ethylphenyl)benzamide
CID 50779132
methyl 4-[3-[4-[(3-chlorophenyl)carbamoylamino]phenyl]-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxylate
CID 140610312
(3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide
CID 97270078
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(3-fluorophenyl)benzamide
CID 50767516
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-sulfamoylphenyl)benzamide
CID 50778913
1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 47032264
[2-amino-3-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)anilino]-3-oxopropyl] dihydrogen phosphate
CID 143728097

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (CID 50778293) is 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is O=C(Nc1ccc(-c2noc(C3CCC3)n2)cc1)Nc1cccc2c1CCCC2.
What is the InChIKey of 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The InChIKey is UFPYECWINQDIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-23(25-20-10-4-6-15-5-1-2-9-19(15)20)24-18-13-11-16(12-14-18)21-26-22(29-27-21)17-7-3-8-17/h4,6,10-14,17H,1-3,5,7-9H2,(H2,24,25,28).
What are the key properties of 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea has a molecular weight of 388.47 g/mol, XLogP of 5.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 50778293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).