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

C12H19N5O — CID 62343565

IUPACN-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
SMILESCc1nn(C)c(C)c1-c1nc(CNC(C)C)no1
InChIInChI=1S/C12H19N5O/c1-7(2)13-6-10-14-12(18-16-10)11-8(3)15-17(5)9(11)4/h7,13H,6H2,1-5H3
InChIKeyKGAWWQPMKASMKS-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.58
Rot. Bonds4

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

N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine (PubChem CID 62343565) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
PubChem CID62343565
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
SMILESCc1nn(C)c(C)c1-c1nc(CNC(C)C)no1
InChIInChI=1S/C12H19N5O/c1-7(2)13-6-10-14-12(18-16-10)11-8(3)15-17(5)9(11)4/h7,13H,6H2,1-5H3
InChIKeyKGAWWQPMKASMKS-UHFFFAOYSA-N
XLogP1.58
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 66126507
3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole
CID 112571923
N-[[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 107974454
N-[[5-(3,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 114022908
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine
CID 62343969
N-[[5-(2-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 79205628
N-[[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 55065816
3-(1-piperazin-1-ylethyl)-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole
CID 63343278
4-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525200
N-[[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 63023761
N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 50974928
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 113229292

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine (CID 62343565) is N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine is Cc1nn(C)c(C)c1-c1nc(CNC(C)C)no1.
What is the InChIKey of N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
The InChIKey is KGAWWQPMKASMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-7(2)13-6-10-14-12(18-16-10)11-8(3)15-17(5)9(11)4/h7,13H,6H2,1-5H3.
What are the key properties of N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine has a molecular weight of 249.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62343565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).