1-(2-phenylethyl)-3-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea

C21H24N6O2 — CID 71792108

IUPAC1-(2-phenylethyl)-3-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
SMILESO=C(NCCc1ccccc1)NC1(c2nc(-c3cnccn3)no2)CCCCC1
InChIInChI=1S/C21H24N6O2/c28-20(24-12-9-16-7-3-1-4-8-16)26-21(10-5-2-6-11-21)19-25-18(27-29-19)17-15-22-13-14-23-17/h1,3-4,7-8,13-15H,2,5-6,9-12H2,(H2,24,26,28)
InChIKeyLQPBZLLECNVZAB-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.23
Rot. Bonds6

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

1-(2-phenylethyl)-3-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea (PubChem CID 71792108) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(2-phenylethyl)-3-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
PubChem CID71792108
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name1-(2-phenylethyl)-3-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
SMILESO=C(NCCc1ccccc1)NC1(c2nc(-c3cnccn3)no2)CCCCC1
InChIInChI=1S/C21H24N6O2/c28-20(24-12-9-16-7-3-1-4-8-16)26-21(10-5-2-6-11-21)19-25-18(27-29-19)17-15-22-13-14-23-17/h1,3-4,7-8,13-15H,2,5-6,9-12H2,(H2,24,26,28)
InChIKeyLQPBZLLECNVZAB-UHFFFAOYSA-N
XLogP3.23
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenyl-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]propanamide
CID 53181974
1-(furan-2-ylmethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
CID 71792067
1-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-benzylurea;hydrochloride
CID 120855897
5-(1-phenylcyclobutyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 71859061
N-(3-phenylpropyl)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 90642399
1-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-ethylurea;hydrochloride
CID 120893234
(2R)-2-phenyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]butanamide
CID 95105668
2-(4-fluorophenyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide
CID 53181959
1-(3-methoxyphenyl)-3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
CID 71792054
2-[1-(2-pyridin-3-ylethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700270
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149
[4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]methanamine
CID 115440117

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-3-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea?
The IUPAC name of 1-(2-phenylethyl)-3-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea (CID 71792108) is 1-(2-phenylethyl)-3-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea.
What is the SMILES notation for 1-(2-phenylethyl)-3-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea?
The canonical SMILES for 1-(2-phenylethyl)-3-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea is O=C(NCCc1ccccc1)NC1(c2nc(-c3cnccn3)no2)CCCCC1.
What is the InChIKey of 1-(2-phenylethyl)-3-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea?
The InChIKey is LQPBZLLECNVZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c28-20(24-12-9-16-7-3-1-4-8-16)26-21(10-5-2-6-11-21)19-25-18(27-29-19)17-15-22-13-14-23-17/h1,3-4,7-8,13-15H,2,5-6,9-12H2,(H2,24,26,28).
What are the key properties of 1-(2-phenylethyl)-3-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea?
1-(2-phenylethyl)-3-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea has a molecular weight of 392.46 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea is sourced from PubChem (CID 71792108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).