1-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-ethylurea;hydrochloride

C17H24ClN5O2 — CID 120893234

IUPAC1-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-ethylurea;hydrochloride
SMILESCCNC(=O)NC1(c2nc(-c3ccc(CN)cc3)no2)CCCC1.Cl
InChIInChI=1S/C17H23N5O2.ClH/c1-2-19-16(23)21-17(9-3-4-10-17)15-20-14(22-24-15)13-7-5-12(11-18)6-8-13;/h5-8H,2-4,9-11,18H2,1H3,(H2,19,21,23);1H
InChIKeyJNMLQOSDXGFVIF-UHFFFAOYSA-N
MW365.87 g/mol
LogP2.71
Rot. Bonds5

About 1-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-ethylurea;hydrochloride

1-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-ethylurea;hydrochloride (PubChem CID 120893234) has the molecular formula C17H24ClN5O2 and a molecular weight of 365.87 g/mol. Its IUPAC name is 1-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-ethylurea;hydrochloride.

Molecular Properties

Compound Name1-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-ethylurea;hydrochloride
PubChem CID120893234
Molecular FormulaC17H24ClN5O2
Molecular Weight365.87 g/mol
Exact Mass365.16
IUPAC Name1-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-ethylurea;hydrochloride
SMILESCCNC(=O)NC1(c2nc(-c3ccc(CN)cc3)no2)CCCC1.Cl
InChIInChI=1S/C17H23N5O2.ClH/c1-2-19-16(23)21-17(9-3-4-10-17)15-20-14(22-24-15)13-7-5-12(11-18)6-8-13;/h5-8H,2-4,9-11,18H2,1H3,(H2,19,21,23);1H
InChIKeyJNMLQOSDXGFVIF-UHFFFAOYSA-N
XLogP2.71
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-ethylurea;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile;hydrochloride
CID 120892726
1-(furan-2-ylmethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
CID 71792067
1-[[4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]-3-propan-2-ylurea;hydrochloride
CID 120893284
1-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-benzylurea;hydrochloride
CID 120855897
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-(ethylcarbamoylamino)cyclopentane-1-carboxamide
CID 120566637
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-4-methylbenzamide
CID 53182024
1-(3-methoxyphenyl)-3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
CID 71792054
1-(2-chlorophenyl)-3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
CID 71792055
4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N-(2,2-dimethylpropyl)benzamide;hydrochloride
CID 120892792
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
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-ethylurea
CID 6463409

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-ethylurea;hydrochloride?
The IUPAC name of 1-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-ethylurea;hydrochloride (CID 120893234) is 1-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-ethylurea;hydrochloride.
What is the SMILES notation for 1-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-ethylurea;hydrochloride?
The canonical SMILES for 1-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-ethylurea;hydrochloride is CCNC(=O)NC1(c2nc(-c3ccc(CN)cc3)no2)CCCC1.Cl.
What is the InChIKey of 1-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-ethylurea;hydrochloride?
The InChIKey is JNMLQOSDXGFVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2.ClH/c1-2-19-16(23)21-17(9-3-4-10-17)15-20-14(22-24-15)13-7-5-12(11-18)6-8-13;/h5-8H,2-4,9-11,18H2,1H3,(H2,19,21,23);1H.
What are the key properties of 1-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-ethylurea;hydrochloride?
1-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-ethylurea;hydrochloride has a molecular weight of 365.87 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-ethylurea;hydrochloride is sourced from PubChem (CID 120893234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).