N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-pyrrolidin-3-ylacetamide;hydrochloride

C12H20ClN3O2 — CID 71756632

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCCc1cnc(CN(C(C)=O)C2CCNC2)o1.Cl
InChIInChI=1S/C12H19N3O2.ClH/c1-3-11-7-14-12(17-11)8-15(9(2)16)10-4-5-13-6-10;/h7,10,13H,3-6,8H2,1-2H3;1H
InChIKeyDVJUQTVFUNQWIX-UHFFFAOYSA-N
MW273.76 g/mol
LogP1.37
Rot. Bonds4

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-pyrrolidin-3-ylacetamide;hydrochloride

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-pyrrolidin-3-ylacetamide;hydrochloride (PubChem CID 71756632) has the molecular formula C12H20ClN3O2 and a molecular weight of 273.76 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-pyrrolidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-pyrrolidin-3-ylacetamide;hydrochloride
PubChem CID71756632
Molecular FormulaC12H20ClN3O2
Molecular Weight273.76 g/mol
Exact Mass273.12
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCCc1cnc(CN(C(C)=O)C2CCNC2)o1.Cl
InChIInChI=1S/C12H19N3O2.ClH/c1-3-11-7-14-12(17-11)8-15(9(2)16)10-4-5-13-6-10;/h7,10,13H,3-6,8H2,1-2H3;1H
InChIKeyDVJUQTVFUNQWIX-UHFFFAOYSA-N
XLogP1.37
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{[5-(propan-2-yl)-1,3-oxazol-2-yl]methyl}-N-(pyrrolidin-3-yl)acetamide
CID 71873201
1-(5-Methyl-1,3-oxazol-2-yl)ethan-1-amine
CID 24255020
[5-(Propan-2-yl)-1,3-oxazol-2-yl]methanamine
CID 54594018
(5-Ethyl-1,3-oxazol-2-yl)methanamine
CID 65180193
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]acetamide
CID 71871791
N-[1-(2-cyanoethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide
CID 71872492
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]acetamide
CID 71872509
N-[1-[2-(cyclohexylamino)ethyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 71872516
N-[2-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 71872553
N-[3-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]propyl]methanesulfonamide
CID 71872556
1-[4-[[3-[(5-Ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone
CID 71872557
N-[1-(cyclobutylmethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide
CID 71928331

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-pyrrolidin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-pyrrolidin-3-ylacetamide;hydrochloride (CID 71756632) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-pyrrolidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-pyrrolidin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-pyrrolidin-3-ylacetamide;hydrochloride is CCc1cnc(CN(C(C)=O)C2CCNC2)o1.Cl.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-pyrrolidin-3-ylacetamide;hydrochloride?
The InChIKey is DVJUQTVFUNQWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2.ClH/c1-3-11-7-14-12(17-11)8-15(9(2)16)10-4-5-13-6-10;/h7,10,13H,3-6,8H2,1-2H3;1H.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-pyrrolidin-3-ylacetamide;hydrochloride?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-pyrrolidin-3-ylacetamide;hydrochloride has a molecular weight of 273.76 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-pyrrolidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 71756632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).