(2S,4R)-4-amino-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,N-diethylpyrrolidine-2-carboxamide

C15H23ClN4O3 — CID 56711448

IUPAC(2S,4R)-4-amino-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)CCc1cc(Cl)no1
InChIInChI=1S/C15H23ClN4O3/c1-3-19(4-2)15(22)12-7-10(17)9-20(12)14(21)6-5-11-8-13(16)18-23-11/h8,10,12H,3-7,9,17H2,1-2H3/t10-,12+/m1/s1
InChIKeyWSIGUVIXTSMSED-PWSUYJOCSA-N
MW342.83 g/mol
LogP1.06
Rot. Bonds6

About (2S,4R)-4-amino-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,N-diethylpyrrolidine-2-carboxamide

(2S,4R)-4-amino-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,N-diethylpyrrolidine-2-carboxamide (PubChem CID 56711448) has the molecular formula C15H23ClN4O3 and a molecular weight of 342.83 g/mol. Its IUPAC name is (2S,4R)-4-amino-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,N-diethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,N-diethylpyrrolidine-2-carboxamide
PubChem CID56711448
Molecular FormulaC15H23ClN4O3
Molecular Weight342.83 g/mol
Exact Mass342.15
IUPAC Name(2S,4R)-4-amino-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)CCc1cc(Cl)no1
InChIInChI=1S/C15H23ClN4O3/c1-3-19(4-2)15(22)12-7-10(17)9-20(12)14(21)6-5-11-8-13(16)18-23-11/h8,10,12H,3-7,9,17H2,1-2H3/t10-,12+/m1/s1
InChIKeyWSIGUVIXTSMSED-PWSUYJOCSA-N
XLogP1.06
TPSA92.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,N-diethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,N-diethylpyrrolidine-2-carboxamide (CID 56711448) is (2S,4R)-4-amino-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,N-diethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,N-diethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,N-diethylpyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)CCc1cc(Cl)no1.
What is the InChIKey of (2S,4R)-4-amino-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,N-diethylpyrrolidine-2-carboxamide?
The InChIKey is WSIGUVIXTSMSED-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H23ClN4O3/c1-3-19(4-2)15(22)12-7-10(17)9-20(12)14(21)6-5-11-8-13(16)18-23-11/h8,10,12H,3-7,9,17H2,1-2H3/t10-,12+/m1/s1.
What are the key properties of (2S,4R)-4-amino-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,N-diethylpyrrolidine-2-carboxamide?
(2S,4R)-4-amino-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,N-diethylpyrrolidine-2-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,N-diethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56711448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).