5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-ethylthiophene-2-carboxamide

C17H20ClN3O3S — CID 45183238

IUPAC5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-ethylthiophene-2-carboxamide
SMILESCCNC(=O)c1ccc(C2CCCN2C(=O)CCc2cc(Cl)no2)s1
InChIInChI=1S/C17H20ClN3O3S/c1-2-19-17(23)14-7-6-13(25-14)12-4-3-9-21(12)16(22)8-5-11-10-15(18)20-24-11/h6-7,10,12H,2-5,8-9H2,1H3,(H,19,23)
InChIKeyOEULMNBKHNWKPA-UHFFFAOYSA-N
MW381.89 g/mol
LogP3.44
Rot. Bonds6

About 5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-ethylthiophene-2-carboxamide

5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-ethylthiophene-2-carboxamide (PubChem CID 45183238) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is 5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-ethylthiophene-2-carboxamide
PubChem CID45183238
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC Name5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-ethylthiophene-2-carboxamide
SMILESCCNC(=O)c1ccc(C2CCCN2C(=O)CCc2cc(Cl)no2)s1
InChIInChI=1S/C17H20ClN3O3S/c1-2-19-17(23)14-7-6-13(25-14)12-4-3-9-21(12)16(22)8-5-11-10-15(18)20-24-11/h6-7,10,12H,2-5,8-9H2,1H3,(H,19,23)
InChIKeyOEULMNBKHNWKPA-UHFFFAOYSA-N
XLogP3.44
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide
CID 45250395
3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 110104453
5-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
CID 45220914
3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 124986328
N-cyclobutyl-5-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45220874
3-phenyl-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 22586744
3-(3-chloro-1,2-oxazol-5-yl)-1-[(2R)-2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 166316412
N,N-dimethyl-5-[1-(3-pyridin-2-ylpropanoyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45197404
5-[1-(2-methylsulfanylacetyl)pyrrolidin-2-yl]-N-(3-pyrazol-1-ylpropyl)thiophene-2-carboxamide
CID 45202930
5-[(2R)-1-(1-benzofuran-5-carbonyl)pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
CID 29056960
5-[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 45192185
2-(3-chlorophenyl)-1-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
CID 92731870

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-ethylthiophene-2-carboxamide?
The IUPAC name of 5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-ethylthiophene-2-carboxamide (CID 45183238) is 5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for 5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-ethylthiophene-2-carboxamide?
The canonical SMILES for 5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-ethylthiophene-2-carboxamide is CCNC(=O)c1ccc(C2CCCN2C(=O)CCc2cc(Cl)no2)s1.
What is the InChIKey of 5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-ethylthiophene-2-carboxamide?
The InChIKey is OEULMNBKHNWKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c1-2-19-17(23)14-7-6-13(25-14)12-4-3-9-21(12)16(22)8-5-11-10-15(18)20-24-11/h6-7,10,12H,2-5,8-9H2,1H3,(H,19,23).
What are the key properties of 5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-ethylthiophene-2-carboxamide?
5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-ethylthiophene-2-carboxamide has a molecular weight of 381.89 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 45183238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).