N,2-dimethyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine

C13H20N4O — CID 79097804

IUPACN,2-dimethyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
SMILESCNC(c1ccn(Cc2noc(C)n2)c1)C(C)C
InChIInChI=1S/C13H20N4O/c1-9(2)13(14-4)11-5-6-17(7-11)8-12-15-10(3)18-16-12/h5-7,9,13-14H,8H2,1-4H3
InChIKeyVESHAKSCDTZXCF-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.14
Rot. Bonds5

About N,2-dimethyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine

N,2-dimethyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine (PubChem CID 79097804) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N,2-dimethyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
PubChem CID79097804
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN,2-dimethyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
SMILESCNC(c1ccn(Cc2noc(C)n2)c1)C(C)C
InChIInChI=1S/C13H20N4O/c1-9(2)13(14-4)11-5-6-17(7-11)8-12-15-10(3)18-16-12/h5-7,9,13-14H,8H2,1-4H3
InChIKeyVESHAKSCDTZXCF-UHFFFAOYSA-N
XLogP2.14
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,2-dimethyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine 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

N,2-dimethyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79097378
1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine
CID 79109146
1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine
CID 79097544
1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine
CID 79109900
1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]-N-methylethanamine
CID 79099859
N,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine
CID 79097299
N,2-dimethyl-1-[1-(2-propan-2-yloxyethyl)pyrrol-3-yl]propan-1-amine
CID 79097308
1-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]-N-methylethanamine
CID 79099852
N-methyl-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105863
1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine
CID 79097214
N-ethyl-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105159
N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanamine
CID 79099727

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine?
The IUPAC name of N,2-dimethyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine (CID 79097804) is N,2-dimethyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine?
The canonical SMILES for N,2-dimethyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine is CNC(c1ccn(Cc2noc(C)n2)c1)C(C)C.
What is the InChIKey of N,2-dimethyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine?
The InChIKey is VESHAKSCDTZXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9(2)13(14-4)11-5-6-17(7-11)8-12-15-10(3)18-16-12/h5-7,9,13-14H,8H2,1-4H3.
What are the key properties of N,2-dimethyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine?
N,2-dimethyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine has a molecular weight of 248.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 79097804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).