N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-3-ylacetamide;hydrochloride

C13H23ClN4O2 — CID 154906930

IUPACN-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCC(C)(C)c1noc(CNC(=O)CC2CCNC2)n1.Cl
InChIInChI=1S/C13H22N4O2.ClH/c1-13(2,3)12-16-11(19-17-12)8-15-10(18)6-9-4-5-14-7-9;/h9,14H,4-8H2,1-3H3,(H,15,18);1H
InChIKeyVRPFWRIZJASREW-UHFFFAOYSA-N
MW302.81 g/mol
LogP1.40
Rot. Bonds4

About N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-3-ylacetamide;hydrochloride

N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-3-ylacetamide;hydrochloride (PubChem CID 154906930) has the molecular formula C13H23ClN4O2 and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-3-ylacetamide;hydrochloride
PubChem CID154906930
Molecular FormulaC13H23ClN4O2
Molecular Weight302.81 g/mol
Exact Mass302.15
IUPAC NameN-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCC(C)(C)c1noc(CNC(=O)CC2CCNC2)n1.Cl
InChIInChI=1S/C13H22N4O2.ClH/c1-13(2,3)12-16-11(19-17-12)8-15-10(18)6-9-4-5-14-7-9;/h9,14H,4-8H2,1-3H3,(H,15,18);1H
InChIKeyVRPFWRIZJASREW-UHFFFAOYSA-N
XLogP1.40
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-3-ylacetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-3-ylmethyl)butanamide
CID 119463876
2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 166615991
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 63006477
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106636894
3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylamino]propanoic acid
CID 43466334
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79705553
N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 125173596
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylacetamide
CID 106047419
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119535454
N-(4-aminocyclohexyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119478368
N-(5-hydroxy-2,2-dimethylpentyl)-2-pyrrolidin-3-ylacetamide
CID 106148292
1-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanone
CID 115077275

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-3-ylacetamide;hydrochloride (CID 154906930) is N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-3-ylacetamide;hydrochloride is CC(C)(C)c1noc(CNC(=O)CC2CCNC2)n1.Cl.
What is the InChIKey of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-3-ylacetamide;hydrochloride?
The InChIKey is VRPFWRIZJASREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2.ClH/c1-13(2,3)12-16-11(19-17-12)8-15-10(18)6-9-4-5-14-7-9;/h9,14H,4-8H2,1-3H3,(H,15,18);1H.
What are the key properties of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-3-ylacetamide;hydrochloride?
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-3-ylacetamide;hydrochloride has a molecular weight of 302.81 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 154906930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).