1-[(2R)-2-[(2S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one

C19H31N3O2 — CID 95338714

IUPAC1-[(2R)-2-[(2S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ncc(C(C)(C)C)o1
InChIInChI=1S/C19H31N3O2/c1-5-18(23)22-11-7-9-15(22)14-8-6-10-21(14)13-17-20-12-16(24-17)19(2,3)4/h12,14-15H,5-11,13H2,1-4H3/t14-,15+/m0/s1
InChIKeyVLQVFYAMIFOIKH-LSDHHAIUSA-N
MW333.48 g/mol
LogP3.34
Rot. Bonds4

About 1-[(2R)-2-[(2S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one

1-[(2R)-2-[(2S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 95338714) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-[(2R)-2-[(2S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-[(2S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID95338714
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-[(2R)-2-[(2S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ncc(C(C)(C)C)o1
InChIInChI=1S/C19H31N3O2/c1-5-18(23)22-11-7-9-15(22)14-8-6-10-21(14)13-17-20-12-16(24-17)19(2,3)4/h12,14-15H,5-11,13H2,1-4H3/t14-,15+/m0/s1
InChIKeyVLQVFYAMIFOIKH-LSDHHAIUSA-N
XLogP3.34
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(2S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[(2R)-2-[(2S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one (CID 95338714) is 1-[(2R)-2-[(2S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(2R)-2-[(2S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(2R)-2-[(2S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ncc(C(C)(C)C)o1.
What is the InChIKey of 1-[(2R)-2-[(2S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is VLQVFYAMIFOIKH-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-5-18(23)22-11-7-9-15(22)14-8-6-10-21(14)13-17-20-12-16(24-17)19(2,3)4/h12,14-15H,5-11,13H2,1-4H3/t14-,15+/m0/s1.
What are the key properties of 1-[(2R)-2-[(2S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?
1-[(2R)-2-[(2S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 333.48 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(2S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 95338714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).