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

C10H14N4O — CID 141066027

IUPACN,N-dimethyl-1-[1-methyl-5-(1,2,4-oxadiazol-3-yl)pyrrol-2-yl]methanamine
SMILESCN(C)Cc1ccc(-c2ncon2)n1C
InChIInChI=1S/C10H14N4O/c1-13(2)6-8-4-5-9(14(8)3)10-11-7-15-12-10/h4-5,7H,6H2,1-3H3
InChIKeyGHUKCDCOSOGXBE-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.14
Rot. Bonds3

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

N,N-dimethyl-1-[1-methyl-5-(1,2,4-oxadiazol-3-yl)pyrrol-2-yl]methanamine (PubChem CID 141066027) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-methyl-5-(1,2,4-oxadiazol-3-yl)pyrrol-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-methyl-5-(1,2,4-oxadiazol-3-yl)pyrrol-2-yl]methanamine
PubChem CID141066027
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC NameN,N-dimethyl-1-[1-methyl-5-(1,2,4-oxadiazol-3-yl)pyrrol-2-yl]methanamine
SMILESCN(C)Cc1ccc(-c2ncon2)n1C
InChIInChI=1S/C10H14N4O/c1-13(2)6-8-4-5-9(14(8)3)10-11-7-15-12-10/h4-5,7H,6H2,1-3H3
InChIKeyGHUKCDCOSOGXBE-UHFFFAOYSA-N
XLogP1.14
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-3-(pyridin-2-yl)-1,2,4-oxadiazole
CID 268849
5-Tert-butyl-3-[[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56815124
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]acetamide
CID 71872468
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide
CID 71872486
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 72122873
5-Propan-2-yl-3-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 72146497
5-Ethyl-3-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 72146498
5-Methyl-3-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 72146499
N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 75373753
2-(1,2,4-Oxadiazol-3-yl)pyridine
CID 268848
3-(Pyridin-2-yl)-1,2,4-oxadiazol-5-amine
CID 11457859
5-[(2,5-Dimethylpyrrolidin-1-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 136514386

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-methyl-5-(1,2,4-oxadiazol-3-yl)pyrrol-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-methyl-5-(1,2,4-oxadiazol-3-yl)pyrrol-2-yl]methanamine (CID 141066027) is N,N-dimethyl-1-[1-methyl-5-(1,2,4-oxadiazol-3-yl)pyrrol-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-methyl-5-(1,2,4-oxadiazol-3-yl)pyrrol-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-methyl-5-(1,2,4-oxadiazol-3-yl)pyrrol-2-yl]methanamine is CN(C)Cc1ccc(-c2ncon2)n1C.
What is the InChIKey of N,N-dimethyl-1-[1-methyl-5-(1,2,4-oxadiazol-3-yl)pyrrol-2-yl]methanamine?
The InChIKey is GHUKCDCOSOGXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-13(2)6-8-4-5-9(14(8)3)10-11-7-15-12-10/h4-5,7H,6H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[1-methyl-5-(1,2,4-oxadiazol-3-yl)pyrrol-2-yl]methanamine?
N,N-dimethyl-1-[1-methyl-5-(1,2,4-oxadiazol-3-yl)pyrrol-2-yl]methanamine has a molecular weight of 206.25 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-methyl-5-(1,2,4-oxadiazol-3-yl)pyrrol-2-yl]methanamine is sourced from PubChem (CID 141066027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).