N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpyrrolidine-2-carboxamide

C13H21N3O2 — CID 106371523

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NCc2ncc(C)o2)CCCN1
InChIInChI=1S/C13H21N3O2/c1-3-5-13(6-4-7-16-13)12(17)15-9-11-14-8-10(2)18-11/h8,16H,3-7,9H2,1-2H3,(H,15,17)
InChIKeyLRDVSHNVDWPCPI-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.52
Rot. Bonds5

About N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpyrrolidine-2-carboxamide

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpyrrolidine-2-carboxamide (PubChem CID 106371523) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpyrrolidine-2-carboxamide
PubChem CID106371523
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NCc2ncc(C)o2)CCCN1
InChIInChI=1S/C13H21N3O2/c1-3-5-13(6-4-7-16-13)12(17)15-9-11-14-8-10(2)18-11/h8,16H,3-7,9H2,1-2H3,(H,15,17)
InChIKeyLRDVSHNVDWPCPI-UHFFFAOYSA-N
XLogP1.52
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpyrrolidine-2-carboxamide (CID 106371523) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)NCc2ncc(C)o2)CCCN1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpyrrolidine-2-carboxamide?
The InChIKey is LRDVSHNVDWPCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-5-13(6-4-7-16-13)12(17)15-9-11-14-8-10(2)18-11/h8,16H,3-7,9H2,1-2H3,(H,15,17).
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpyrrolidine-2-carboxamide?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpyrrolidine-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106371523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).