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

C15H20N4O2S — CID 136563312

IUPACN-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
SMILESCCc1noc(NC(=O)N2CCCC2(C)Cc2cccs2)n1
InChIInChI=1S/C15H20N4O2S/c1-3-12-16-13(21-18-12)17-14(20)19-8-5-7-15(19,2)10-11-6-4-9-22-11/h4,6,9H,3,5,7-8,10H2,1-2H3,(H,16,17,18,20)
InChIKeyKXQYMVOZKXPQHN-UHFFFAOYSA-N
MW320.42 g/mol
LogP3.32
Rot. Bonds4

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

N-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 136563312) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID136563312
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
SMILESCCc1noc(NC(=O)N2CCCC2(C)Cc2cccs2)n1
InChIInChI=1S/C15H20N4O2S/c1-3-12-16-13(21-18-12)17-14(20)19-8-5-7-15(19,2)10-11-6-4-9-22-11/h4,6,9H,3,5,7-8,10H2,1-2H3,(H,16,17,18,20)
InChIKeyKXQYMVOZKXPQHN-UHFFFAOYSA-N
XLogP3.32
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(1-propylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 136562597
1-[2-methyl-2-(thiophen-2-ylmethyl)pyrrolidin-1-yl]-2-(4,5,6,7-tetrahydrobenzotriazol-1-yl)ethanone
CID 136566094
1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 51984855
(2R)-N-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-(4-ethylphenyl)morpholine-4-carboxamide
CID 129488275
2-ethyl-1-(thiophen-2-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83071359
(6S)-N-(3-ethyl-1,2,4-oxadiazol-5-yl)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
CID 136585729
2-benzyl-2-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)pyrrolidine-1-carboxamide
CID 126806947
2-ethyl-1-(3-thiophen-2-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 83075965
N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]thiophene-2-carboxamide
CID 46267006
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 71870648
methyl 1-methyl-4-(thiophen-2-ylmethyl)piperidine-4-carboxylate
CID 16639184
2-ethyl-1-[2-(thiophen-2-ylmethylsulfanyl)acetyl]pyrrolidine-2-carboxylic acid
CID 83075795

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide (CID 136563312) is N-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide is CCc1noc(NC(=O)N2CCCC2(C)Cc2cccs2)n1.
What is the InChIKey of N-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is KXQYMVOZKXPQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-3-12-16-13(21-18-12)17-14(20)19-8-5-7-15(19,2)10-11-6-4-9-22-11/h4,6,9H,3,5,7-8,10H2,1-2H3,(H,16,17,18,20).
What are the key properties of N-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide?
N-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 136563312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).