(2S,4S)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide

C13H21N3O3 — CID 128985996

IUPAC(2S,4S)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide
SMILESCCc1onc(C)c1NC(=O)[C@@H]1C[C@H](OC)CN1C
InChIInChI=1S/C13H21N3O3/c1-5-11-12(8(2)15-19-11)14-13(17)10-6-9(18-4)7-16(10)3/h9-10H,5-7H2,1-4H3,(H,14,17)/t9-,10-/m0/s1
InChIKeyIYSJOIFBAPUONL-UWVGGRQHSA-N
MW267.33 g/mol
LogP1.20
Rot. Bonds4

About (2S,4S)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide

(2S,4S)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide (PubChem CID 128985996) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is (2S,4S)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide
PubChem CID128985996
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name(2S,4S)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide
SMILESCCc1onc(C)c1NC(=O)[C@@H]1C[C@H](OC)CN1C
InChIInChI=1S/C13H21N3O3/c1-5-11-12(8(2)15-19-11)14-13(17)10-6-9(18-4)7-16(10)3/h9-10H,5-7H2,1-4H3,(H,14,17)/t9-,10-/m0/s1
InChIKeyIYSJOIFBAPUONL-UWVGGRQHSA-N
XLogP1.20
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide (CID 128985996) is (2S,4S)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide is CCc1onc(C)c1NC(=O)[C@@H]1C[C@H](OC)CN1C.
What is the InChIKey of (2S,4S)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide?
The InChIKey is IYSJOIFBAPUONL-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-11-12(8(2)15-19-11)14-13(17)10-6-9(18-4)7-16(10)3/h9-10H,5-7H2,1-4H3,(H,14,17)/t9-,10-/m0/s1.
What are the key properties of (2S,4S)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide?
(2S,4S)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 128985996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).