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

C11H16N4O — CID 79102152

IUPACN-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine
SMILESCNC(C)c1cccn1Cc1nnc(C)o1
InChIInChI=1S/C11H16N4O/c1-8(12-3)10-5-4-6-15(10)7-11-14-13-9(2)16-11/h4-6,8,12H,7H2,1-3H3
InChIKeyDFMFEJLMSZHGLC-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.51
Rot. Bonds4

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

N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine (PubChem CID 79102152) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine
PubChem CID79102152
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine
SMILESCNC(C)c1cccn1Cc1nnc(C)o1
InChIInChI=1S/C11H16N4O/c1-8(12-3)10-5-4-6-15(10)7-11-14-13-9(2)16-11/h4-6,8,12H,7H2,1-3H3
InChIKeyDFMFEJLMSZHGLC-UHFFFAOYSA-N
XLogP1.51
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine 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-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 71861469
2-{(2S)-4,4-Difluoro-1-[(1-methyl-1H-pyrrol-2-YL)methyl]tetrahydro-1H-pyrrol-2-YL}-5-ethyl-1,3,4-oxadiazole
CID 132335107
4-{2-[N-2-(1-methyl-2-pyrrolyl)-2-(1-pyrrolidinyl)ethylcarbamoylcarbonylamino]ethyl}morpholine
CID 44059179
N1-ethyl-N2-(2-(1-methyl-1H-pyrrol-2-yl)-2-(pyrrolidin-1-yl)ethyl)oxalamide
CID 44059212
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 72016209
2-Methyl-5-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 91830828
(3R,4R)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methyl]-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol
CID 129343347
1-[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine
CID 128990706
2-[4,4-Difluoro-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,3,4-oxadiazole
CID 156610701
Methyl[(pyridin-2-yl)methyl]{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}amine
CID 171328153
2-[[4-(Pyridin-2-ylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 171704255
N1-methyl-N2-(2-(1-methyl-1H-pyrrol-2-yl)-2-(pyrrolidin-1-yl)ethyl)oxalamide
CID 44059211

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine (CID 79102152) is N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine is CNC(C)c1cccn1Cc1nnc(C)o1.
What is the InChIKey of N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine?
The InChIKey is DFMFEJLMSZHGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-8(12-3)10-5-4-6-15(10)7-11-14-13-9(2)16-11/h4-6,8,12H,7H2,1-3H3.
What are the key properties of N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine?
N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine has a molecular weight of 220.28 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine is sourced from PubChem (CID 79102152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).