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

C22H24ClN5O2 — CID 25222228

IUPAC1-(4-chlorophenyl)-3-[4-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2noc(CCN3CCCCC3)n2)cc1
InChIInChI=1S/C22H24ClN5O2/c23-17-6-10-19(11-7-17)25-22(29)24-18-8-4-16(5-9-18)21-26-20(30-27-21)12-15-28-13-2-1-3-14-28/h4-11H,1-3,12-15H2,(H2,24,25,29)
InChIKeyUTUVOLVAJRXPAM-UHFFFAOYSA-N
MW425.92 g/mol
LogP5.06
Rot. Bonds6

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

1-(4-chlorophenyl)-3-[4-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea (PubChem CID 25222228) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
PubChem CID25222228
Molecular FormulaC22H24ClN5O2
Molecular Weight425.92 g/mol
Exact Mass425.16
IUPAC Name1-(4-chlorophenyl)-3-[4-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2noc(CCN3CCCCC3)n2)cc1
InChIInChI=1S/C22H24ClN5O2/c23-17-6-10-19(11-7-17)25-22(29)24-18-8-4-16(5-9-18)21-26-20(30-27-21)12-15-28-13-2-1-3-14-28/h4-11H,1-3,12-15H2,(H2,24,25,29)
InChIKeyUTUVOLVAJRXPAM-UHFFFAOYSA-N
XLogP5.06
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.92
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azepan-1-yl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 9036823
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine
CID 111555025
3-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole
CID 154128947
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 55407922
1-(4-chlorophenyl)-3-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
CID 110324234
methyl 1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate
CID 125421943
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[4-(piperidine-1-carbonyl)phenyl]thiourea
CID 100760010
2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 31001493
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-phenylpiperidine-3-carboxamide
CID 43933224
N-(4-chlorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762340
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-chlorophenyl)propanamide
CID 100759437
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide
CID 55803402

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea (CID 25222228) is 1-(4-chlorophenyl)-3-[4-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea is O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2noc(CCN3CCCCC3)n2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea?
The InChIKey is UTUVOLVAJRXPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2/c23-17-6-10-19(11-7-17)25-22(29)24-18-8-4-16(5-9-18)21-26-20(30-27-21)12-15-28-13-2-1-3-14-28/h4-11H,1-3,12-15H2,(H2,24,25,29).
What are the key properties of 1-(4-chlorophenyl)-3-[4-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea?
1-(4-chlorophenyl)-3-[4-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea has a molecular weight of 425.92 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea is sourced from PubChem (CID 25222228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).