1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-bromophenyl)urea;hydrochloride

C16H21BrClN5O2 — CID 120853244

IUPAC1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-bromophenyl)urea;hydrochloride
SMILESCl.NC1(c2noc(CCNC(=O)Nc3ccc(Br)cc3)n2)CCCC1
InChIInChI=1S/C16H20BrN5O2.ClH/c17-11-3-5-12(6-4-11)20-15(23)19-10-7-13-21-14(22-24-13)16(18)8-1-2-9-16;/h3-6H,1-2,7-10,18H2,(H2,19,20,23);1H
InChIKeyVEUZDVAHCOWSJH-UHFFFAOYSA-N
MW430.73 g/mol
LogP3.35
Rot. Bonds5

About 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-bromophenyl)urea;hydrochloride

1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-bromophenyl)urea;hydrochloride (PubChem CID 120853244) has the molecular formula C16H21BrClN5O2 and a molecular weight of 430.73 g/mol. Its IUPAC name is 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-bromophenyl)urea;hydrochloride.

Molecular Properties

Compound Name1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-bromophenyl)urea;hydrochloride
PubChem CID120853244
Molecular FormulaC16H21BrClN5O2
Molecular Weight430.73 g/mol
Exact Mass429.06
IUPAC Name1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-bromophenyl)urea;hydrochloride
SMILESCl.NC1(c2noc(CCNC(=O)Nc3ccc(Br)cc3)n2)CCCC1
InChIInChI=1S/C16H20BrN5O2.ClH/c17-11-3-5-12(6-4-11)20-15(23)19-10-7-13-21-14(22-24-13)16(18)8-1-2-9-16;/h3-6H,1-2,7-10,18H2,(H2,19,20,23);1H
InChIKeyVEUZDVAHCOWSJH-UHFFFAOYSA-N
XLogP3.35
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.73
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-bromophenyl)urea;hydrochloride with MolForge

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Related Compounds

1-[5-[2-(4-bromophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120857488
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 120851636
N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-bromo-5-fluorobenzamide;hydrochloride
CID 120861177
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-nitrobenzamide
CID 120850141
1-[5-[2-(5-bromo-1,3-benzothiazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850863
1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-phenylurea
CID 120856143
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one
CID 120852283
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 120851826
1-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one;hydrochloride
CID 120860401
1-[5-[2-(2-bromo-5-chlorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120857482
N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]cyclopropanecarboxamide
CID 120863866
1-[2-[3-[5-amino-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-bromophenyl)urea
CID 155968430

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-bromophenyl)urea;hydrochloride?
The IUPAC name of 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-bromophenyl)urea;hydrochloride (CID 120853244) is 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-bromophenyl)urea;hydrochloride.
What is the SMILES notation for 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-bromophenyl)urea;hydrochloride?
The canonical SMILES for 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-bromophenyl)urea;hydrochloride is Cl.NC1(c2noc(CCNC(=O)Nc3ccc(Br)cc3)n2)CCCC1.
What is the InChIKey of 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-bromophenyl)urea;hydrochloride?
The InChIKey is VEUZDVAHCOWSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN5O2.ClH/c17-11-3-5-12(6-4-11)20-15(23)19-10-7-13-21-14(22-24-13)16(18)8-1-2-9-16;/h3-6H,1-2,7-10,18H2,(H2,19,20,23);1H.
What are the key properties of 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-bromophenyl)urea;hydrochloride?
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-bromophenyl)urea;hydrochloride has a molecular weight of 430.73 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-bromophenyl)urea;hydrochloride is sourced from PubChem (CID 120853244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).