N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[1-[(E)-hex-2-enyl]pyrrolidin-2-yl]thiophene-2-carboxamide

C20H27N3O2S — CID 45197540

IUPACN-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[1-[(E)-hex-2-enyl]pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCCC/C=C/CN1CCCC1c1ccc(C(=O)Nc2c(C)noc2C)s1
InChIInChI=1S/C20H27N3O2S/c1-4-5-6-7-12-23-13-8-9-16(23)17-10-11-18(26-17)20(24)21-19-14(2)22-25-15(19)3/h6-7,10-11,16H,4-5,8-9,12-13H2,1-3H3,(H,21,24)/b7-6+
InChIKeyMZCFZWOZKRWDAK-VOTSOKGWSA-N
MW373.52 g/mol
LogP5.10
Rot. Bonds7

About N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[1-[(E)-hex-2-enyl]pyrrolidin-2-yl]thiophene-2-carboxamide

N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[1-[(E)-hex-2-enyl]pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 45197540) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[1-[(E)-hex-2-enyl]pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[1-[(E)-hex-2-enyl]pyrrolidin-2-yl]thiophene-2-carboxamide
PubChem CID45197540
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[1-[(E)-hex-2-enyl]pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCCC/C=C/CN1CCCC1c1ccc(C(=O)Nc2c(C)noc2C)s1
InChIInChI=1S/C20H27N3O2S/c1-4-5-6-7-12-23-13-8-9-16(23)17-10-11-18(26-17)20(24)21-19-14(2)22-25-15(19)3/h6-7,10-11,16H,4-5,8-9,12-13H2,1-3H3,(H,21,24)/b7-6+
InChIKeyMZCFZWOZKRWDAK-VOTSOKGWSA-N
XLogP5.10
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.52
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide
CID 45193553
5-[(2R)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-4-ylthiophene-2-carboxamide
CID 28980406
5-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-N-[2-(methylsulfamoyl)ethyl]thiophene-2-carboxamide
CID 45224902
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpyrrolidine-1-carboxamide
CID 95052097
5-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide
CID 31125678
5-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide
CID 31125676
N-(1H-benzimidazol-2-yl)-5-[(2S)-1-propanoylpyrrolidin-2-yl]thiophene-2-carboxamide
CID 28642143
5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 31105543
[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 53017150
5-[(2R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
CID 28882648
3,5-dimethyl-4-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 92502967
5-[(2S)-1-propylpyrrolidin-2-yl]-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]thiophene-2-carboxamide
CID 30956731

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[1-[(E)-hex-2-enyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[1-[(E)-hex-2-enyl]pyrrolidin-2-yl]thiophene-2-carboxamide (CID 45197540) is N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[1-[(E)-hex-2-enyl]pyrrolidin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[1-[(E)-hex-2-enyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[1-[(E)-hex-2-enyl]pyrrolidin-2-yl]thiophene-2-carboxamide is CCC/C=C/CN1CCCC1c1ccc(C(=O)Nc2c(C)noc2C)s1.
What is the InChIKey of N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[1-[(E)-hex-2-enyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The InChIKey is MZCFZWOZKRWDAK-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-4-5-6-7-12-23-13-8-9-16(23)17-10-11-18(26-17)20(24)21-19-14(2)22-25-15(19)3/h6-7,10-11,16H,4-5,8-9,12-13H2,1-3H3,(H,21,24)/b7-6+.
What are the key properties of N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[1-[(E)-hex-2-enyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[1-[(E)-hex-2-enyl]pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 373.52 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[1-[(E)-hex-2-enyl]pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 45197540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).