5-[(2R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide

C22H25N3O2S — CID 28882648

IUPAC5-[(2R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1ccc([C@H]2CCCN2Cc2coc(-c3ccccc3)n2)s1
InChIInChI=1S/C22H25N3O2S/c1-2-12-23-21(26)20-11-10-19(28-20)18-9-6-13-25(18)14-17-15-27-22(24-17)16-7-4-3-5-8-16/h3-5,7-8,10-11,15,18H,2,6,9,12-14H2,1H3,(H,23,26)/t18-/m1/s1
InChIKeyYTVDILDTAFBRJB-GOSISDBHSA-N
MW395.53 g/mol
LogP4.88
Rot. Bonds7

About 5-[(2R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide

5-[(2R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide (PubChem CID 28882648) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is 5-[(2R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(2R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
PubChem CID28882648
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name5-[(2R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1ccc([C@H]2CCCN2Cc2coc(-c3ccccc3)n2)s1
InChIInChI=1S/C22H25N3O2S/c1-2-12-23-21(26)20-11-10-19(28-20)18-9-6-13-25(18)14-17-15-27-22(24-17)16-7-4-3-5-8-16/h3-5,7-8,10-11,15,18H,2,6,9,12-14H2,1H3,(H,23,26)/t18-/m1/s1
InChIKeyYTVDILDTAFBRJB-GOSISDBHSA-N
XLogP4.88
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 86953301
5-[(2R)-1-(1-benzofuran-5-carbonyl)pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
CID 29056960
[3-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119926244
2-(4-fluorophenyl)-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole
CID 31811934
5-[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 45192185
5-[(2R)-1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide
CID 30854184
4-[[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 74249790
5-[1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide
CID 45206718
4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-ylmethyl)-2-phenyl-1,3-oxazole
CID 102681708
5-[(2R)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-4-ylthiophene-2-carboxamide
CID 28980406
5-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
CID 45220914
5-[(2R)-1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide
CID 29027435

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide?
The IUPAC name of 5-[(2R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide (CID 28882648) is 5-[(2R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 5-[(2R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide?
The canonical SMILES for 5-[(2R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide is CCCNC(=O)c1ccc([C@H]2CCCN2Cc2coc(-c3ccccc3)n2)s1.
What is the InChIKey of 5-[(2R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide?
The InChIKey is YTVDILDTAFBRJB-GOSISDBHSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-2-12-23-21(26)20-11-10-19(28-20)18-9-6-13-25(18)14-17-15-27-22(24-17)16-7-4-3-5-8-16/h3-5,7-8,10-11,15,18H,2,6,9,12-14H2,1H3,(H,23,26)/t18-/m1/s1.
What are the key properties of 5-[(2R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide?
5-[(2R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 28882648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).