N-(2,5-dimethylpyrrol-1-yl)-3-methyl-1,2,4-oxadiazol-5-amine

C9H12N4O — CID 106659816

IUPACN-(2,5-dimethylpyrrol-1-yl)-3-methyl-1,2,4-oxadiazol-5-amine
SMILESCc1noc(Nn2c(C)ccc2C)n1
InChIInChI=1S/C9H12N4O/c1-6-4-5-7(2)13(6)11-9-10-8(3)12-14-9/h4-5H,1-3H3,(H,10,11,12)
InChIKeyJRXJTKIZFINDTL-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.67
Rot. Bonds2

About N-(2,5-dimethylpyrrol-1-yl)-3-methyl-1,2,4-oxadiazol-5-amine

N-(2,5-dimethylpyrrol-1-yl)-3-methyl-1,2,4-oxadiazol-5-amine (PubChem CID 106659816) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is N-(2,5-dimethylpyrrol-1-yl)-3-methyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(2,5-dimethylpyrrol-1-yl)-3-methyl-1,2,4-oxadiazol-5-amine
PubChem CID106659816
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC NameN-(2,5-dimethylpyrrol-1-yl)-3-methyl-1,2,4-oxadiazol-5-amine
SMILESCc1noc(Nn2c(C)ccc2C)n1
InChIInChI=1S/C9H12N4O/c1-6-4-5-7(2)13(6)11-9-10-8(3)12-14-9/h4-5H,1-3H3,(H,10,11,12)
InChIKeyJRXJTKIZFINDTL-UHFFFAOYSA-N
XLogP1.67
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(2-methyl-2-phenylpropyl)-1,2,4-oxadiazol-5-amine
CID 103519965
N-(3-methyl-1,2,4-oxadiazol-5-yl)furan-2-carboxamide
CID 103618054
4-[[(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenol
CID 106659974
3-methyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 115777298
N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777303
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 106659606
3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 106403164
3-methyl-N-(1-pyridin-4-ylethyl)-1,2,4-oxadiazol-5-amine
CID 106659554
3-methyl-N-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 106418985
N-[(2,3-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115924870
N-[(3-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777289
3-methyl-N-pentan-2-yl-1,2,4-oxadiazol-5-amine
CID 106659529

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-3-methyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-3-methyl-1,2,4-oxadiazol-5-amine (CID 106659816) is N-(2,5-dimethylpyrrol-1-yl)-3-methyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(2,5-dimethylpyrrol-1-yl)-3-methyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(2,5-dimethylpyrrol-1-yl)-3-methyl-1,2,4-oxadiazol-5-amine is Cc1noc(Nn2c(C)ccc2C)n1.
What is the InChIKey of N-(2,5-dimethylpyrrol-1-yl)-3-methyl-1,2,4-oxadiazol-5-amine?
The InChIKey is JRXJTKIZFINDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-6-4-5-7(2)13(6)11-9-10-8(3)12-14-9/h4-5H,1-3H3,(H,10,11,12).
What are the key properties of N-(2,5-dimethylpyrrol-1-yl)-3-methyl-1,2,4-oxadiazol-5-amine?
N-(2,5-dimethylpyrrol-1-yl)-3-methyl-1,2,4-oxadiazol-5-amine has a molecular weight of 192.22 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrrol-1-yl)-3-methyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 106659816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).