1-cyclopentyl-6-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3-methylquinoxalin-2-one

C21H21N5O2S — CID 53005922

IUPAC1-cyclopentyl-6-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3-methylquinoxalin-2-one
SMILESCc1nc(C)c(-c2nc(-c3ccc4c(c3)nc(C)c(=O)n4C3CCCC3)no2)s1
InChIInChI=1S/C21H21N5O2S/c1-11-18(29-13(3)22-11)20-24-19(25-28-20)14-8-9-17-16(10-14)23-12(2)21(27)26(17)15-6-4-5-7-15/h8-10,15H,4-7H2,1-3H3
InChIKeyMRSDPODVPSTBDA-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.61
Rot. Bonds3

About 1-cyclopentyl-6-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3-methylquinoxalin-2-one

1-cyclopentyl-6-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3-methylquinoxalin-2-one (PubChem CID 53005922) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is 1-cyclopentyl-6-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3-methylquinoxalin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-6-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3-methylquinoxalin-2-one
PubChem CID53005922
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC Name1-cyclopentyl-6-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3-methylquinoxalin-2-one
SMILESCc1nc(C)c(-c2nc(-c3ccc4c(c3)nc(C)c(=O)n4C3CCCC3)no2)s1
InChIInChI=1S/C21H21N5O2S/c1-11-18(29-13(3)22-11)20-24-19(25-28-20)14-8-9-17-16(10-14)23-12(2)21(27)26(17)15-6-4-5-7-15/h8-10,15H,4-7H2,1-3H3
InChIKeyMRSDPODVPSTBDA-UHFFFAOYSA-N
XLogP4.61
TPSA86.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-cyclopentyl-3-methyl-6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
CID 53065362
1-cyclopentyl-3-methyl-6-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
CID 53065353
N-[[3-(1-cyclopentyl-3-methyl-2-oxoquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53065324
6-[5-[(3S)-1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-1-cyclopentyl-3-methylquinoxalin-2-one
CID 95067745
1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid
CID 5276046
1,3-dimethyl-6-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
CID 53065136
3-cyclopentyl-6-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one
CID 53065881
3-methyl-1-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)quinoxalin-2-one
CID 53065217
1,3-dimethyl-6-[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
CID 95067702
1-(1-cyclooctylpiperidin-4-yl)-3-methylquinoxalin-2-one
CID 118919117
(5S)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(thian-3-yl)benzimidazol-2-yl]pyrrolidin-2-one
CID 155065885
(5S)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-1,1-dioxothian-3-yl]benzimidazol-2-yl]pyrrolidin-2-one
CID 148927954

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3-methylquinoxalin-2-one?
The IUPAC name of 1-cyclopentyl-6-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3-methylquinoxalin-2-one (CID 53005922) is 1-cyclopentyl-6-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3-methylquinoxalin-2-one.
What is the SMILES notation for 1-cyclopentyl-6-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3-methylquinoxalin-2-one?
The canonical SMILES for 1-cyclopentyl-6-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3-methylquinoxalin-2-one is Cc1nc(C)c(-c2nc(-c3ccc4c(c3)nc(C)c(=O)n4C3CCCC3)no2)s1.
What is the InChIKey of 1-cyclopentyl-6-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3-methylquinoxalin-2-one?
The InChIKey is MRSDPODVPSTBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c1-11-18(29-13(3)22-11)20-24-19(25-28-20)14-8-9-17-16(10-14)23-12(2)21(27)26(17)15-6-4-5-7-15/h8-10,15H,4-7H2,1-3H3.
What are the key properties of 1-cyclopentyl-6-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3-methylquinoxalin-2-one?
1-cyclopentyl-6-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3-methylquinoxalin-2-one has a molecular weight of 407.50 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3-methylquinoxalin-2-one is sourced from PubChem (CID 53005922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).