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

C17H24ClN5O2 — CID 120856445

IUPAC1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-3-phenylurea;hydrochloride
SMILESCC(C)(NC(=O)Nc1ccccc1)c1nc(C2(N)CCCC2)no1.Cl
InChIInChI=1S/C17H23N5O2.ClH/c1-16(2,21-15(23)19-12-8-4-3-5-9-12)14-20-13(22-24-14)17(18)10-6-7-11-17;/h3-5,8-9H,6-7,10-11,18H2,1-2H3,(H2,19,21,23);1H
InChIKeyDBIMCJUMURQSGR-UHFFFAOYSA-N
MW365.87 g/mol
LogP3.28
Rot. Bonds4

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

1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-3-phenylurea;hydrochloride (PubChem CID 120856445) has the molecular formula C17H24ClN5O2 and a molecular weight of 365.87 g/mol. Its IUPAC name is 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-3-phenylurea;hydrochloride.

Molecular Properties

Compound Name1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-3-phenylurea;hydrochloride
PubChem CID120856445
Molecular FormulaC17H24ClN5O2
Molecular Weight365.87 g/mol
Exact Mass365.16
IUPAC Name1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-3-phenylurea;hydrochloride
SMILESCC(C)(NC(=O)Nc1ccccc1)c1nc(C2(N)CCCC2)no1.Cl
InChIInChI=1S/C17H23N5O2.ClH/c1-16(2,21-15(23)19-12-8-4-3-5-9-12)14-20-13(22-24-14)17(18)10-6-7-11-17;/h3-5,8-9H,6-7,10-11,18H2,1-2H3,(H2,19,21,23);1H
InChIKeyDBIMCJUMURQSGR-UHFFFAOYSA-N
XLogP3.28
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-3-phenylurea
CID 120856446
1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-phenylurea
CID 120856143
3-(1-aminocyclobutyl)-N-phenyl-1,2,4-oxadiazole-5-carboxamide;hydrochloride
CID 120862919
1-[5-[2-(2-methylphenyl)propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120855344
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide
CID 120856428
1-[5-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863922
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 120855325
1-[5-[2-(2-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863796
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide;hydrochloride
CID 120853046
1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 91641536
1-[5-[2-(4-ethylphenyl)propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850872
1-[5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 104632814

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-3-phenylurea;hydrochloride?
The IUPAC name of 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-3-phenylurea;hydrochloride (CID 120856445) is 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-3-phenylurea;hydrochloride.
What is the SMILES notation for 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-3-phenylurea;hydrochloride?
The canonical SMILES for 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-3-phenylurea;hydrochloride is CC(C)(NC(=O)Nc1ccccc1)c1nc(C2(N)CCCC2)no1.Cl.
What is the InChIKey of 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-3-phenylurea;hydrochloride?
The InChIKey is DBIMCJUMURQSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2.ClH/c1-16(2,21-15(23)19-12-8-4-3-5-9-12)14-20-13(22-24-14)17(18)10-6-7-11-17;/h3-5,8-9H,6-7,10-11,18H2,1-2H3,(H2,19,21,23);1H.
What are the key properties of 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-3-phenylurea;hydrochloride?
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-3-phenylurea;hydrochloride has a molecular weight of 365.87 g/mol, XLogP of 3.28, 4 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]propan-2-yl]-3-phenylurea;hydrochloride is sourced from PubChem (CID 120856445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).