2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide

C17H23N5O2 — CID 91777300

IUPAC2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCN(C)C1CCN(CC(=O)NCc2cc(-c3cccnc3)no2)C1
InChIInChI=1S/C17H23N5O2/c1-21(2)14-5-7-22(11-14)12-17(23)19-10-15-8-16(20-24-15)13-4-3-6-18-9-13/h3-4,6,8-9,14H,5,7,10-12H2,1-2H3,(H,19,23)
InChIKeyMOQWHFRNMOUGGF-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.99
Rot. Bonds6

About 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide

2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide (PubChem CID 91777300) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide
PubChem CID91777300
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCN(C)C1CCN(CC(=O)NCc2cc(-c3cccnc3)no2)C1
InChIInChI=1S/C17H23N5O2/c1-21(2)14-5-7-22(11-14)12-17(23)19-10-15-8-16(20-24-15)13-4-3-6-18-9-13/h3-4,6,8-9,14H,5,7,10-12H2,1-2H3,(H,19,23)
InChIKeyMOQWHFRNMOUGGF-UHFFFAOYSA-N
XLogP0.99
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide?
The IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide (CID 91777300) is 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide is CN(C)C1CCN(CC(=O)NCc2cc(-c3cccnc3)no2)C1.
What is the InChIKey of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide?
The InChIKey is MOQWHFRNMOUGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-21(2)14-5-7-22(11-14)12-17(23)19-10-15-8-16(20-24-15)13-4-3-6-18-9-13/h3-4,6,8-9,14H,5,7,10-12H2,1-2H3,(H,19,23).
What are the key properties of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide?
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide is sourced from PubChem (CID 91777300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).