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

C17H23N5O2 — CID 120853330

IUPAC[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylphenyl)ethyl]urea
SMILESCc1cccc(C(Cc2nc(C3(N)CCCC3)no2)NC(N)=O)c1
InChIInChI=1S/C17H23N5O2/c1-11-5-4-6-12(9-11)13(20-16(18)23)10-14-21-15(22-24-14)17(19)7-2-3-8-17/h4-6,9,13H,2-3,7-8,10,19H2,1H3,(H3,18,20,23)
InChIKeyZIUZSOAKRHNGQU-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.06
Rot. Bonds5

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

[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylphenyl)ethyl]urea (PubChem CID 120853330) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is [2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylphenyl)ethyl]urea
PubChem CID120853330
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylphenyl)ethyl]urea
SMILESCc1cccc(C(Cc2nc(C3(N)CCCC3)no2)NC(N)=O)c1
InChIInChI=1S/C17H23N5O2/c1-11-5-4-6-12(9-11)13(20-16(18)23)10-14-21-15(22-24-14)17(19)7-2-3-8-17/h4-6,9,13H,2-3,7-8,10,19H2,1H3,(H3,18,20,23)
InChIKeyZIUZSOAKRHNGQU-UHFFFAOYSA-N
XLogP2.06
TPSA120.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,6-difluorophenyl)ethyl]acetamide
CID 120852534
[1-(3-methylphenyl)-2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]urea;hydrochloride
CID 120960084
1-[5-[2-(3-fluorophenyl)propyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120856429
N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide;hydrochloride
CID 120862787
[(1R)-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]urea
CID 100611253
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,5-dimethylphenyl)propan-1-one;hydrochloride
CID 120850125
1-[5-[2-(4-fluorophenyl)propyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861354
1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61353308
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,5-dimethylbenzenesulfonamide
CID 120852961
1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 114876400
1-[5-[2-(4-ethylphenyl)propyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864665
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(2,5-dimethylphenyl)propan-1-one;hydrochloride
CID 120858607

Frequently Asked Questions

What is the IUPAC name of [2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylphenyl)ethyl]urea?
The IUPAC name of [2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylphenyl)ethyl]urea (CID 120853330) is [2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylphenyl)ethyl]urea.
What is the SMILES notation for [2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylphenyl)ethyl]urea?
The canonical SMILES for [2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylphenyl)ethyl]urea is Cc1cccc(C(Cc2nc(C3(N)CCCC3)no2)NC(N)=O)c1.
What is the InChIKey of [2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylphenyl)ethyl]urea?
The InChIKey is ZIUZSOAKRHNGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11-5-4-6-12(9-11)13(20-16(18)23)10-14-21-15(22-24-14)17(19)7-2-3-8-17/h4-6,9,13H,2-3,7-8,10,19H2,1H3,(H3,18,20,23).
What are the key properties of [2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylphenyl)ethyl]urea?
[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylphenyl)ethyl]urea has a molecular weight of 329.40 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylphenyl)ethyl]urea is sourced from PubChem (CID 120853330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).