5-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-methylimidazolidine-2,4-dione

C16H17N5O3 — CID 120859710

IUPAC5-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(-c3nc(C4(N)CCC4)no3)cc2)NC(=O)NC1=O
InChIInChI=1S/C16H17N5O3/c1-15(13(22)19-14(23)20-15)10-5-3-9(4-6-10)11-18-12(21-24-11)16(17)7-2-8-16/h3-6H,2,7-8,17H2,1H3,(H2,19,20,22,23)
InChIKeyJYXZZASQBUPPFM-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.13
Rot. Bonds3

About 5-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-methylimidazolidine-2,4-dione

5-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 120859710) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 5-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-methylimidazolidine-2,4-dione
PubChem CID120859710
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name5-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(-c3nc(C4(N)CCC4)no3)cc2)NC(=O)NC1=O
InChIInChI=1S/C16H17N5O3/c1-15(13(22)19-14(23)20-15)10-5-3-9(4-6-10)11-18-12(21-24-11)16(17)7-2-8-16/h3-6H,2,7-8,17H2,1H3,(H2,19,20,22,23)
InChIKeyJYXZZASQBUPPFM-UHFFFAOYSA-N
XLogP1.13
TPSA123.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862536
1-[5-(4-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859325
1-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanone
CID 120861030
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854803
1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352714
1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351739
1-[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858813
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;hydrochloride
CID 120855657
1-[5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 166216352
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863388
[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 120860566
1-[5-[4-(diethylaminomethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862052

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-methylimidazolidine-2,4-dione (CID 120859710) is 5-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-methylimidazolidine-2,4-dione is CC1(c2ccc(-c3nc(C4(N)CCC4)no3)cc2)NC(=O)NC1=O.
What is the InChIKey of 5-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is JYXZZASQBUPPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-15(13(22)19-14(23)20-15)10-5-3-9(4-6-10)11-18-12(21-24-11)16(17)7-2-8-16/h3-6H,2,7-8,17H2,1H3,(H2,19,20,22,23).
What are the key properties of 5-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-methylimidazolidine-2,4-dione?
5-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 327.34 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 120859710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).