1-tert-butyl-4-[[methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]amino]methyl]pyrrolidin-2-one

C17H29N3O2 — CID 74234619

IUPAC1-tert-butyl-4-[[methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]amino]methyl]pyrrolidin-2-one
SMILESCC(C)c1nc(CN(C)CC2CC(=O)N(C(C)(C)C)C2)co1
InChIInChI=1S/C17H29N3O2/c1-12(2)16-18-14(11-22-16)10-19(6)8-13-7-15(21)20(9-13)17(3,4)5/h11-13H,7-10H2,1-6H3
InChIKeyZUTZUUOBMOHIOQ-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.88
Rot. Bonds5

About 1-tert-butyl-4-[[methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]amino]methyl]pyrrolidin-2-one

1-tert-butyl-4-[[methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]amino]methyl]pyrrolidin-2-one (PubChem CID 74234619) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-tert-butyl-4-[[methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-[[methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]amino]methyl]pyrrolidin-2-one
PubChem CID74234619
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name1-tert-butyl-4-[[methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]amino]methyl]pyrrolidin-2-one
SMILESCC(C)c1nc(CN(C)CC2CC(=O)N(C(C)(C)C)C2)co1
InChIInChI=1S/C17H29N3O2/c1-12(2)16-18-14(11-22-16)10-19(6)8-13-7-15(21)20(9-13)17(3,4)5/h11-13H,7-10H2,1-6H3
InChIKeyZUTZUUOBMOHIOQ-UHFFFAOYSA-N
XLogP2.88
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[[methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of 1-tert-butyl-4-[[methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]amino]methyl]pyrrolidin-2-one (CID 74234619) is 1-tert-butyl-4-[[methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-[[methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-[[methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]amino]methyl]pyrrolidin-2-one is CC(C)c1nc(CN(C)CC2CC(=O)N(C(C)(C)C)C2)co1.
What is the InChIKey of 1-tert-butyl-4-[[methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]amino]methyl]pyrrolidin-2-one?
The InChIKey is ZUTZUUOBMOHIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-12(2)16-18-14(11-22-16)10-19(6)8-13-7-15(21)20(9-13)17(3,4)5/h11-13H,7-10H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[[methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]amino]methyl]pyrrolidin-2-one?
1-tert-butyl-4-[[methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]amino]methyl]pyrrolidin-2-one has a molecular weight of 307.44 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[[methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 74234619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).