1-[2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyrrolidin-2-one

C12H14N4O2S — CID 28872626

IUPAC1-[2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyrrolidin-2-one
SMILESCc1nc(-c2nc(CCN3CCCC3=O)no2)cs1
InChIInChI=1S/C12H14N4O2S/c1-8-13-9(7-19-8)12-14-10(15-18-12)4-6-16-5-2-3-11(16)17/h7H,2-6H2,1H3
InChIKeyXVJGTZDPLWDXEX-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.67
Rot. Bonds4

About 1-[2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyrrolidin-2-one

1-[2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyrrolidin-2-one (PubChem CID 28872626) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-[2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyrrolidin-2-one
PubChem CID28872626
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name1-[2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyrrolidin-2-one
SMILESCc1nc(-c2nc(CCN3CCCC3=O)no2)cs1
InChIInChI=1S/C12H14N4O2S/c1-8-13-9(7-19-8)12-14-10(15-18-12)4-6-16-5-2-3-11(16)17/h7H,2-6H2,1H3
InChIKeyXVJGTZDPLWDXEX-UHFFFAOYSA-N
XLogP1.67
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 65199032
1-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 65198755
5-(2-methyl-1,3-thiazol-4-yl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 65198751
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 72894736
1-[2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one
CID 51100877
N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 8941199
N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 35889238
1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one
CID 71823766
1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one
CID 75539105
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one
CID 71823742
2-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372883
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869918

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyrrolidin-2-one (CID 28872626) is 1-[2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyrrolidin-2-one is Cc1nc(-c2nc(CCN3CCCC3=O)no2)cs1.
What is the InChIKey of 1-[2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyrrolidin-2-one?
The InChIKey is XVJGTZDPLWDXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-8-13-9(7-19-8)12-14-10(15-18-12)4-6-16-5-2-3-11(16)17/h7H,2-6H2,1H3.
What are the key properties of 1-[2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyrrolidin-2-one?
1-[2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyrrolidin-2-one has a molecular weight of 278.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 28872626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).