N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]acetamide

C19H26N4O2 — CID 96512266

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]acetamide
SMILESCCc1cnc(CN(C(C)=O)[C@@H]2CCN(CCc3ccncc3)C2)o1
InChIInChI=1S/C19H26N4O2/c1-3-18-12-21-19(25-18)14-23(15(2)24)17-7-11-22(13-17)10-6-16-4-8-20-9-5-16/h4-5,8-9,12,17H,3,6-7,10-11,13-14H2,1-2H3/t17-/m1/s1
InChIKeyJJLLCVGSCZNEJE-QGZVFWFLSA-N
MW342.44 g/mol
LogP2.30
Rot. Bonds7

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]acetamide

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]acetamide (PubChem CID 96512266) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]acetamide
PubChem CID96512266
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]acetamide
SMILESCCc1cnc(CN(C(C)=O)[C@@H]2CCN(CCc3ccncc3)C2)o1
InChIInChI=1S/C19H26N4O2/c1-3-18-12-21-19(25-18)14-23(15(2)24)17-7-11-22(13-17)10-6-16-4-8-20-9-5-16/h4-5,8-9,12,17H,3,6-7,10-11,13-14H2,1-2H3/t17-/m1/s1
InChIKeyJJLLCVGSCZNEJE-QGZVFWFLSA-N
XLogP2.30
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]acetamide (CID 96512266) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]acetamide is CCc1cnc(CN(C(C)=O)[C@@H]2CCN(CCc3ccncc3)C2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is JJLLCVGSCZNEJE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-18-12-21-19(25-18)14-23(15(2)24)17-7-11-22(13-17)10-6-16-4-8-20-9-5-16/h4-5,8-9,12,17H,3,6-7,10-11,13-14H2,1-2H3/t17-/m1/s1.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]acetamide?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 96512266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).