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

C17H21N5O2 — CID 120853701

IUPAC7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one
SMILESCC1C(=O)Nc2cc(-c3nc(C4(N)CCCC4)no3)ccc2N1C
InChIInChI=1S/C17H21N5O2/c1-10-14(23)19-12-9-11(5-6-13(12)22(10)2)15-20-16(21-24-15)17(18)7-3-4-8-17/h5-6,9-10H,3-4,7-8,18H2,1-2H3,(H,19,23)
InChIKeyMHYICFCISJJRPX-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.24
Rot. Bonds2

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

7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one (PubChem CID 120853701) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one
PubChem CID120853701
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one
SMILESCC1C(=O)Nc2cc(-c3nc(C4(N)CCCC4)no3)ccc2N1C
InChIInChI=1S/C17H21N5O2/c1-10-14(23)19-12-9-11(5-6-13(12)22(10)2)15-20-16(21-24-15)17(18)7-3-4-8-17/h5-6,9-10H,3-4,7-8,18H2,1-2H3,(H,19,23)
InChIKeyMHYICFCISJJRPX-UHFFFAOYSA-N
XLogP2.24
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[3-(1-aminocyclopentyl)-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-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one
CID 120861604
3,4-dimethyl-7-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-1,3-dihydroquinoxalin-2-one
CID 167974220
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853935
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855098
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351934
7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 120853792
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;hydrochloride
CID 120861217
1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61353726
1-[5-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857444
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863388
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854803
1-[5-[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120856488

Frequently Asked Questions

What is the IUPAC name of 7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one (CID 120853701) is 7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one is CC1C(=O)Nc2cc(-c3nc(C4(N)CCCC4)no3)ccc2N1C.
What is the InChIKey of 7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is MHYICFCISJJRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-10-14(23)19-12-9-11(5-6-13(12)22(10)2)15-20-16(21-24-15)17(18)7-3-4-8-17/h5-6,9-10H,3-4,7-8,18H2,1-2H3,(H,19,23).
What are the key properties of 7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one?
7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 327.39 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3,4-dimethyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 120853701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).