5-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide

C18H27N3O3S — CID 45220914

IUPAC5-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1ccc(C2CCCN2C(=O)CCN2CCCO2)s1
InChIInChI=1S/C18H27N3O3S/c1-2-9-19-18(23)16-7-6-15(25-16)14-5-3-11-21(14)17(22)8-12-20-10-4-13-24-20/h6-7,14H,2-5,8-13H2,1H3,(H,19,23)
InChIKeyNIAMPGGDKAYYDB-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.58
Rot. Bonds7

About 5-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide

5-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide (PubChem CID 45220914) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 5-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
PubChem CID45220914
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name5-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1ccc(C2CCCN2C(=O)CCN2CCCO2)s1
InChIInChI=1S/C18H27N3O3S/c1-2-9-19-18(23)16-7-6-15(25-16)14-5-3-11-21(14)17(22)8-12-20-10-4-13-24-20/h6-7,14H,2-5,8-13H2,1H3,(H,19,23)
InChIKeyNIAMPGGDKAYYDB-UHFFFAOYSA-N
XLogP2.58
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-ethylthiophene-2-carboxamide
CID 45183238
N-(2-methylbutan-2-yl)-5-[1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45219855
N-ethyl-N-methyl-5-[1-[3-(5-methyltetrazol-1-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45206901
5-[(2R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
CID 28882648
5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide
CID 45250395
N-cyclobutyl-5-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45220874
3-(oxazinan-2-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
CID 47000546
N,N-dimethyl-5-[1-(3-pyridin-2-ylpropanoyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45197404
5-[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 45192185
5-[(2S)-1-propanoylpyrrolidin-2-yl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
CID 92556707

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide?
The IUPAC name of 5-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide (CID 45220914) is 5-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 5-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide?
The canonical SMILES for 5-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide is CCCNC(=O)c1ccc(C2CCCN2C(=O)CCN2CCCO2)s1.
What is the InChIKey of 5-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide?
The InChIKey is NIAMPGGDKAYYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-2-9-19-18(23)16-7-6-15(25-16)14-5-3-11-21(14)17(22)8-12-20-10-4-13-24-20/h6-7,14H,2-5,8-13H2,1H3,(H,19,23).
What are the key properties of 5-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide?
5-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 45220914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).