1-(2-methylpropyl)-5-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide

C16H25N3O3 — CID 50958783

IUPAC1-(2-methylpropyl)-5-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)NCc2cc(C(C)C)no2)CC1=O
InChIInChI=1S/C16H25N3O3/c1-10(2)8-19-9-12(5-15(19)20)16(21)17-7-13-6-14(11(3)4)18-22-13/h6,10-12H,5,7-9H2,1-4H3,(H,17,21)
InChIKeyLKRZSPSJIDAJFR-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.92
Rot. Bonds6

About 1-(2-methylpropyl)-5-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide

1-(2-methylpropyl)-5-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 50958783) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-(2-methylpropyl)-5-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropyl)-5-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID50958783
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name1-(2-methylpropyl)-5-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)NCc2cc(C(C)C)no2)CC1=O
InChIInChI=1S/C16H25N3O3/c1-10(2)8-19-9-12(5-15(19)20)16(21)17-7-13-6-14(11(3)4)18-22-13/h6,10-12H,5,7-9H2,1-4H3,(H,17,21)
InChIKeyLKRZSPSJIDAJFR-UHFFFAOYSA-N
XLogP1.92
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-5-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methylpropyl)-5-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide (CID 50958783) is 1-(2-methylpropyl)-5-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methylpropyl)-5-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methylpropyl)-5-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide is CC(C)CN1CC(C(=O)NCc2cc(C(C)C)no2)CC1=O.
What is the InChIKey of 1-(2-methylpropyl)-5-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is LKRZSPSJIDAJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-10(2)8-19-9-12(5-15(19)20)16(21)17-7-13-6-14(11(3)4)18-22-13/h6,10-12H,5,7-9H2,1-4H3,(H,17,21).
What are the key properties of 1-(2-methylpropyl)-5-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?
1-(2-methylpropyl)-5-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-5-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 50958783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).