7-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one

C16H19N5O2 — CID 120861604

IUPAC7-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one
SMILESCC1C(=O)Nc2cc(-c3nc(C4(N)CCC4)no3)ccc2N1C
InChIInChI=1S/C16H19N5O2/c1-9-13(22)18-11-8-10(4-5-12(11)21(9)2)14-19-15(20-23-14)16(17)6-3-7-16/h4-5,8-9H,3,6-7,17H2,1-2H3,(H,18,22)
InChIKeyLMYMKLNMHNYBKJ-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.85
Rot. Bonds2

About 7-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one

7-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one (PubChem CID 120861604) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 7-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name7-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one
PubChem CID120861604
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name7-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one
SMILESCC1C(=O)Nc2cc(-c3nc(C4(N)CCC4)no3)ccc2N1C
InChIInChI=1S/C16H19N5O2/c1-9-13(22)18-11-8-10(4-5-12(11)21(9)2)14-19-15(20-23-14)16(17)6-3-7-16/h4-5,8-9H,3,6-7,17H2,1-2H3,(H,18,22)
InChIKeyLMYMKLNMHNYBKJ-UHFFFAOYSA-N
XLogP1.85
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one with MolForge

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Related Compounds

7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one
CID 120853701
3,4-dimethyl-7-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-1,3-dihydroquinoxalin-2-one
CID 167974220
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;hydrochloride
CID 120861217
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863388
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853935
1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861722
1-[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858813
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862536
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855098
7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 120853792
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351934
1-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859350

Frequently Asked Questions

What is the IUPAC name of 7-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 7-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one (CID 120861604) is 7-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 7-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 7-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one is CC1C(=O)Nc2cc(-c3nc(C4(N)CCC4)no3)ccc2N1C.
What is the InChIKey of 7-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is LMYMKLNMHNYBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-9-13(22)18-11-8-10(4-5-12(11)21(9)2)14-19-15(20-23-14)16(17)6-3-7-16/h4-5,8-9H,3,6-7,17H2,1-2H3,(H,18,22).
What are the key properties of 7-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one?
7-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 313.36 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 120861604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).