N-(furan-2-ylmethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide

C17H18N4O3S — CID 55579042

IUPACN-(furan-2-ylmethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccco1)C1CCCN1Cc1nc(-c2cccs2)no1
InChIInChI=1S/C17H18N4O3S/c22-17(18-10-12-4-2-8-23-12)13-5-1-7-21(13)11-15-19-16(20-24-15)14-6-3-9-25-14/h2-4,6,8-9,13H,1,5,7,10-11H2,(H,18,22)
InChIKeyGEHOBWBWAIAUOV-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.67
Rot. Bonds6

About N-(furan-2-ylmethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide

N-(furan-2-ylmethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 55579042) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID55579042
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-(furan-2-ylmethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccco1)C1CCCN1Cc1nc(-c2cccs2)no1
InChIInChI=1S/C17H18N4O3S/c22-17(18-10-12-4-2-8-23-12)13-5-1-7-21(13)11-15-19-16(20-24-15)14-6-3-9-25-14/h2-4,6,8-9,13H,1,5,7,10-11H2,(H,18,22)
InChIKeyGEHOBWBWAIAUOV-UHFFFAOYSA-N
XLogP2.67
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexanecarboxamide
CID 110293437
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110323229
5-[[(2S)-2-methylpiperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 51924350
2-methyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3-carboxylic acid
CID 79370860
(2S)-1-benzyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 131930539
N-(furan-2-ylmethyl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide;oxalic acid
CID 71784003
N-(pyridin-4-ylmethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934995
N-(furan-2-ylmethyl)-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 51225250
1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 75438534
3-(furan-2-yl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 30126710
5-[[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 39976721
N-[(2-methylphenyl)methyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934971

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide (CID 55579042) is N-(furan-2-ylmethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide is O=C(NCc1ccco1)C1CCCN1Cc1nc(-c2cccs2)no1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is GEHOBWBWAIAUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c22-17(18-10-12-4-2-8-23-12)13-5-1-7-21(13)11-15-19-16(20-24-15)14-6-3-9-25-14/h2-4,6,8-9,13H,1,5,7,10-11H2,(H,18,22).
What are the key properties of N-(furan-2-ylmethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide?
N-(furan-2-ylmethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55579042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).