(3S)-1-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]pyrrolidin-2-one

C13H21N3O2 — CID 164639035

IUPAC(3S)-1-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]pyrrolidin-2-one
SMILESCN(Cc1ccon1)[C@H]1CCN(C(C)(C)C)C1=O
InChIInChI=1S/C13H21N3O2/c1-13(2,3)16-7-5-11(12(16)17)15(4)9-10-6-8-18-14-10/h6,8,11H,5,7,9H2,1-4H3/t11-/m0/s1
InChIKeyUUSJWLIZIAWBNS-NSHDSACASA-N
MW251.33 g/mol
LogP1.51
Rot. Bonds3

About (3S)-1-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]pyrrolidin-2-one

(3S)-1-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]pyrrolidin-2-one (PubChem CID 164639035) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (3S)-1-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]pyrrolidin-2-one
PubChem CID164639035
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(3S)-1-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]pyrrolidin-2-one
SMILESCN(Cc1ccon1)[C@H]1CCN(C(C)(C)C)C1=O
InChIInChI=1S/C13H21N3O2/c1-13(2,3)16-7-5-11(12(16)17)15(4)9-10-6-8-18-14-10/h6,8,11H,5,7,9H2,1-4H3/t11-/m0/s1
InChIKeyUUSJWLIZIAWBNS-NSHDSACASA-N
XLogP1.51
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(isoxazol-3-ylmethyl)-N-methylacetamide
CID 16187563
N-[2-methyl-2-(1,2-oxazole-3-carbonylamino)butyl]-1,2-oxazole-3-carboxamide
CID 71918343
2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-(isoxazol-3-ylmethyl)-N-methylacetamide
CID 72846014
1-ethyl-N-(3-isoxazolylmethyl)-N-methyl-5-oxo-3-pyrrolidinecarboxamide
CID 72879217
N-(3-isoxazolylmethyl)-N,8-dimethyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56889852
2-Methyl-1-[1,2-oxazol-3-ylmethyl(propan-2-yl)amino]propan-2-ol
CID 71969456
2-azocan-1-yl-N-(isoxazol-3-ylmethyl)-N-methylacetamide
CID 86286853
N~1~-(tert-butyl)-N~3~-(isoxazol-3-ylmethyl)-N~3~-methyl-beta-alaninamide
CID 91831466
(2S)-N-methyl-1-(1,2-oxazol-3-ylmethyl)piperidine-2-carboxamide
CID 97062241
(2S)-N,2-dimethyl-3-morpholin-4-yl-N-(1,2-oxazol-3-ylmethyl)propanamide
CID 100013931
N-[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]-1,2-oxazole-3-carboxamide
CID 137993278
N-[(3S,4R)-4-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 140808748

Frequently Asked Questions

What is the IUPAC name of (3S)-1-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]pyrrolidin-2-one?
The IUPAC name of (3S)-1-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]pyrrolidin-2-one (CID 164639035) is (3S)-1-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]pyrrolidin-2-one.
What is the SMILES notation for (3S)-1-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]pyrrolidin-2-one?
The canonical SMILES for (3S)-1-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]pyrrolidin-2-one is CN(Cc1ccon1)[C@H]1CCN(C(C)(C)C)C1=O.
What is the InChIKey of (3S)-1-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]pyrrolidin-2-one?
The InChIKey is UUSJWLIZIAWBNS-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2,3)16-7-5-11(12(16)17)15(4)9-10-6-8-18-14-10/h6,8,11H,5,7,9H2,1-4H3/t11-/m0/s1.
What are the key properties of (3S)-1-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]pyrrolidin-2-one?
(3S)-1-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]pyrrolidin-2-one has a molecular weight of 251.33 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]pyrrolidin-2-one is sourced from PubChem (CID 164639035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).