1-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-benzylurea;hydrochloride

C20H28ClN5O2 — CID 120855897

IUPAC1-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-benzylurea;hydrochloride
SMILESCl.NC1(c2noc(C3(NC(=O)NCc4ccccc4)CCCC3)n2)CCCC1
InChIInChI=1S/C20H27N5O2.ClH/c21-19(10-4-5-11-19)16-23-17(27-25-16)20(12-6-7-13-20)24-18(26)22-14-15-8-2-1-3-9-15;/h1-3,8-9H,4-7,10-14,21H2,(H2,22,24,26);1H
InChIKeyIKEGLSJTEBOIOR-UHFFFAOYSA-N
MW405.93 g/mol
LogP3.49
Rot. Bonds5

About 1-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-benzylurea;hydrochloride

1-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-benzylurea;hydrochloride (PubChem CID 120855897) has the molecular formula C20H28ClN5O2 and a molecular weight of 405.93 g/mol. Its IUPAC name is 1-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-benzylurea;hydrochloride.

Molecular Properties

Compound Name1-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-benzylurea;hydrochloride
PubChem CID120855897
Molecular FormulaC20H28ClN5O2
Molecular Weight405.93 g/mol
Exact Mass405.19
IUPAC Name1-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-benzylurea;hydrochloride
SMILESCl.NC1(c2noc(C3(NC(=O)NCc4ccccc4)CCCC3)n2)CCCC1
InChIInChI=1S/C20H27N5O2.ClH/c21-19(10-4-5-11-19)16-23-17(27-25-16)20(12-6-7-13-20)24-18(26)22-14-15-8-2-1-3-9-15;/h1-3,8-9H,4-7,10-14,21H2,(H2,22,24,26);1H
InChIKeyIKEGLSJTEBOIOR-UHFFFAOYSA-N
XLogP3.49
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851992
1-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-ethylurea;hydrochloride
CID 120893234
1-[[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]-3-propan-2-ylurea
CID 120852189
1-(2-phenylethyl)-3-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
CID 71792108
3-phenyl-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]propanamide
CID 53181974
3-(1-aminocyclobutyl)-N-phenyl-1,2,4-oxadiazole-5-carboxamide;hydrochloride
CID 120862919
N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 120859066
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55538479
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 120859212
N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide;hydrochloride
CID 120855723
1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-phenylurea
CID 120856143
1-(furan-2-ylmethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
CID 71792067

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-benzylurea;hydrochloride?
The IUPAC name of 1-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-benzylurea;hydrochloride (CID 120855897) is 1-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-benzylurea;hydrochloride.
What is the SMILES notation for 1-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-benzylurea;hydrochloride?
The canonical SMILES for 1-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-benzylurea;hydrochloride is Cl.NC1(c2noc(C3(NC(=O)NCc4ccccc4)CCCC3)n2)CCCC1.
What is the InChIKey of 1-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-benzylurea;hydrochloride?
The InChIKey is IKEGLSJTEBOIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2.ClH/c21-19(10-4-5-11-19)16-23-17(27-25-16)20(12-6-7-13-20)24-18(26)22-14-15-8-2-1-3-9-15;/h1-3,8-9H,4-7,10-14,21H2,(H2,22,24,26);1H.
What are the key properties of 1-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-benzylurea;hydrochloride?
1-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-benzylurea;hydrochloride has a molecular weight of 405.93 g/mol, XLogP of 3.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-benzylurea;hydrochloride is sourced from PubChem (CID 120855897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).