[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

C16H16N4O4S — CID 119035597

IUPAC[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1noc(C2(O)CCN(C(=O)c3nc(-c4ccco4)sc3C)C2)n1
InChIInChI=1S/C16H16N4O4S/c1-9-12(18-13(25-9)11-4-3-7-23-11)14(21)20-6-5-16(22,8-20)15-17-10(2)19-24-15/h3-4,7,22H,5-6,8H2,1-2H3
InChIKeyDSZJHUTWCOIFJI-UHFFFAOYSA-N
MW360.40 g/mol
LogP2.14
Rot. Bonds3

About [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 119035597) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID119035597
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC Name[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1noc(C2(O)CCN(C(=O)c3nc(-c4ccco4)sc3C)C2)n1
InChIInChI=1S/C16H16N4O4S/c1-9-12(18-13(25-9)11-4-3-7-23-11)14(21)20-6-5-16(22,8-20)15-17-10(2)19-24-15/h3-4,7,22H,5-6,8H2,1-2H3
InChIKeyDSZJHUTWCOIFJI-UHFFFAOYSA-N
XLogP2.14
TPSA105.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874467
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 43417508
[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-naphthalen-2-ylmethanone
CID 119035596
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95326170
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 30827996
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900533
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119577581
2-[4-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 39462105
1-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119167777
(3S)-1-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119174167
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94022022
[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 167862030

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (CID 119035597) is [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is Cc1noc(C2(O)CCN(C(=O)c3nc(-c4ccco4)sc3C)C2)n1.
What is the InChIKey of [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is DSZJHUTWCOIFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S/c1-9-12(18-13(25-9)11-4-3-7-23-11)14(21)20-6-5-16(22,8-20)15-17-10(2)19-24-15/h3-4,7,22H,5-6,8H2,1-2H3.
What are the key properties of [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 360.40 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119035597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).