5-methyl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide

C17H21N3O2 — CID 71972332

IUPAC5-methyl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2cccc(N3CCCC3)c2)no1
InChIInChI=1S/C17H21N3O2/c1-12-10-16(19-22-12)17(21)18-13(2)14-6-5-7-15(11-14)20-8-3-4-9-20/h5-7,10-11,13H,3-4,8-9H2,1-2H3,(H,18,21)
InChIKeyOSVAJJHCJSHHFI-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.07
Rot. Bonds4

About 5-methyl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 71972332) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 5-methyl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID71972332
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name5-methyl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2cccc(N3CCCC3)c2)no1
InChIInChI=1S/C17H21N3O2/c1-12-10-16(19-22-12)17(21)18-13(2)14-6-5-7-15(11-14)20-8-3-4-9-20/h5-7,10-11,13H,3-4,8-9H2,1-2H3,(H,18,21)
InChIKeyOSVAJJHCJSHHFI-UHFFFAOYSA-N
XLogP3.07
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]-1,2-oxazole-3-carboxamide
CID 124591808
1-N-methyl-3-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzene-1,3-dicarboxamide
CID 166234095
N-[(1R)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 97053477
N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 71856468
2-amino-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide;dihydrochloride
CID 119947462
1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide
CID 119900394
1-(3-morpholin-4-ylphenyl)ethylcarbamic acid
CID 22605465
5-methyl-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]-1,2-oxazole-3-carboxamide
CID 97478219
N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 71972333
5-methyl-1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide
CID 119900380
1-methyl-4-oxo-N-[(1S)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
CID 136902519
N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 95243126

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide (CID 71972332) is 5-methyl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC(C)c2cccc(N3CCCC3)c2)no1.
What is the InChIKey of 5-methyl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is OSVAJJHCJSHHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-10-16(19-22-12)17(21)18-13(2)14-6-5-7-15(11-14)20-8-3-4-9-20/h5-7,10-11,13H,3-4,8-9H2,1-2H3,(H,18,21).
What are the key properties of 5-methyl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71972332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).