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

C13H20N4O — CID 66403771

IUPAC2-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
SMILESCc1nnc(Cn2cccc2CNC(C)(C)C)o1
InChIInChI=1S/C13H20N4O/c1-10-15-16-12(18-10)9-17-7-5-6-11(17)8-14-13(2,3)4/h5-7,14H,8-9H2,1-4H3
InChIKeyKPPWZNYGYDLXSL-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.12
Rot. Bonds4

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

2-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine (PubChem CID 66403771) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
PubChem CID66403771
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
SMILESCc1nnc(Cn2cccc2CNC(C)(C)C)o1
InChIInChI=1S/C13H20N4O/c1-10-15-16-12(18-10)9-17-7-5-6-11(17)8-14-13(2,3)4/h5-7,14H,8-9H2,1-4H3
InChIKeyKPPWZNYGYDLXSL-UHFFFAOYSA-N
XLogP2.12
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-methyl-N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66402608
N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine
CID 79102152
2-methyl-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66401056
2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 112651076
N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66402797
N-[[1-[(4-bromothiophen-2-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66402996
N-[[1-[(3,4-dichlorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66401437
N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66401842
N-[[1-[(3,4-difluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 82919681
2-methyl-N-[(1-pentylpyrrol-2-yl)methyl]propan-2-amine
CID 66401427
N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66403219
2-methyl-N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]propan-2-amine
CID 66401243

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine (CID 66403771) is 2-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine is Cc1nnc(Cn2cccc2CNC(C)(C)C)o1.
What is the InChIKey of 2-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine?
The InChIKey is KPPWZNYGYDLXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10-15-16-12(18-10)9-17-7-5-6-11(17)8-14-13(2,3)4/h5-7,14H,8-9H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine has a molecular weight of 248.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 66403771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).