(4R)-1-ethyl-4-[[methyl-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]amino]methyl]pyrrolidin-2-one

C17H23N3O2S — CID 28666750

IUPAC(4R)-1-ethyl-4-[[methyl-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]amino]methyl]pyrrolidin-2-one
SMILESCCN1C[C@@H](CN(C)Cc2nc(-c3ccsc3)oc2C)CC1=O
InChIInChI=1S/C17H23N3O2S/c1-4-20-9-13(7-16(20)21)8-19(3)10-15-12(2)22-17(18-15)14-5-6-23-11-14/h5-6,11,13H,4,7-10H2,1-3H3/t13-/m1/s1
InChIKeyQTBASGBNYZWOOO-CYBMUJFWSA-N
MW333.46 g/mol
LogP3.01
Rot. Bonds6

About (4R)-1-ethyl-4-[[methyl-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]amino]methyl]pyrrolidin-2-one

(4R)-1-ethyl-4-[[methyl-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]amino]methyl]pyrrolidin-2-one (PubChem CID 28666750) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is (4R)-1-ethyl-4-[[methyl-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-ethyl-4-[[methyl-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]amino]methyl]pyrrolidin-2-one
PubChem CID28666750
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name(4R)-1-ethyl-4-[[methyl-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]amino]methyl]pyrrolidin-2-one
SMILESCCN1C[C@@H](CN(C)Cc2nc(-c3ccsc3)oc2C)CC1=O
InChIInChI=1S/C17H23N3O2S/c1-4-20-9-13(7-16(20)21)8-19(3)10-15-12(2)22-17(18-15)14-5-6-23-11-14/h5-6,11,13H,4,7-10H2,1-3H3/t13-/m1/s1
InChIKeyQTBASGBNYZWOOO-CYBMUJFWSA-N
XLogP3.01
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-ethyl-4-[[methyl-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-ethyl-4-[[methyl-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]amino]methyl]pyrrolidin-2-one (CID 28666750) is (4R)-1-ethyl-4-[[methyl-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-ethyl-4-[[methyl-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-ethyl-4-[[methyl-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]amino]methyl]pyrrolidin-2-one is CCN1C[C@@H](CN(C)Cc2nc(-c3ccsc3)oc2C)CC1=O.
What is the InChIKey of (4R)-1-ethyl-4-[[methyl-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]amino]methyl]pyrrolidin-2-one?
The InChIKey is QTBASGBNYZWOOO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-4-20-9-13(7-16(20)21)8-19(3)10-15-12(2)22-17(18-15)14-5-6-23-11-14/h5-6,11,13H,4,7-10H2,1-3H3/t13-/m1/s1.
What are the key properties of (4R)-1-ethyl-4-[[methyl-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]amino]methyl]pyrrolidin-2-one?
(4R)-1-ethyl-4-[[methyl-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]amino]methyl]pyrrolidin-2-one has a molecular weight of 333.46 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-ethyl-4-[[methyl-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 28666750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).