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

C10H14N4O — CID 136984470

IUPAC2-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC(C)(CN)c1nc(-c2ccc[nH]2)no1
InChIInChI=1S/C10H14N4O/c1-10(2,6-11)9-13-8(14-15-9)7-4-3-5-12-7/h3-5,12H,6,11H2,1-2H3
InChIKeyGSYRHRCZCFOLSO-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.30
Rot. Bonds3

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

2-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 136984470) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID136984470
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC(C)(CN)c1nc(-c2ccc[nH]2)no1
InChIInChI=1S/C10H14N4O/c1-10(2,6-11)9-13-8(14-15-9)7-4-3-5-12-7/h3-5,12H,6,11H2,1-2H3
InChIKeyGSYRHRCZCFOLSO-UHFFFAOYSA-N
XLogP1.30
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 662473
2-[5-(2,2-Dimethylpropyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 750624
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
4-[5-(4-Methylpyrrolidin-3-YL)-1,2,4-oxadiazol-3-YL]pyridine
CID 90488124
[(3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methanol
CID 110202973

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 2-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 136984470) is 2-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 2-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CC(C)(CN)c1nc(-c2ccc[nH]2)no1.
What is the InChIKey of 2-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is GSYRHRCZCFOLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-10(2,6-11)9-13-8(14-15-9)7-4-3-5-12-7/h3-5,12H,6,11H2,1-2H3.
What are the key properties of 2-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
2-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 206.25 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 136984470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).