2-[3-(1,2,4-oxadiazol-3-ylmethyl)imidazol-4-yl]propan-2-amine

C9H13N5O — CID 106410323

IUPAC2-[3-(1,2,4-oxadiazol-3-ylmethyl)imidazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cncn1Cc1ncon1
InChIInChI=1S/C9H13N5O/c1-9(2,10)7-3-11-5-14(7)4-8-12-6-15-13-8/h3,5-6H,4,10H2,1-2H3
InChIKeyRSZITJOKOJEEEQ-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.51
Rot. Bonds3

About 2-[3-(1,2,4-oxadiazol-3-ylmethyl)imidazol-4-yl]propan-2-amine

2-[3-(1,2,4-oxadiazol-3-ylmethyl)imidazol-4-yl]propan-2-amine (PubChem CID 106410323) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-[3-(1,2,4-oxadiazol-3-ylmethyl)imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(1,2,4-oxadiazol-3-ylmethyl)imidazol-4-yl]propan-2-amine
PubChem CID106410323
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name2-[3-(1,2,4-oxadiazol-3-ylmethyl)imidazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cncn1Cc1ncon1
InChIInChI=1S/C9H13N5O/c1-9(2,10)7-3-11-5-14(7)4-8-12-6-15-13-8/h3,5-6H,4,10H2,1-2H3
InChIKeyRSZITJOKOJEEEQ-UHFFFAOYSA-N
XLogP0.51
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(2-methylprop-2-enyl)imidazol-4-yl]propan-2-amine
CID 114707859
2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 114703081
2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]propan-2-amine
CID 106291716
2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]propan-2-amine
CID 114706508
2-[3-(3-methylsulfonylpropyl)imidazol-4-yl]propan-2-amine
CID 114704632
2-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]propan-2-amine
CID 114707151
2-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]propan-2-amine
CID 114702568
1-[[5-(2-aminopropan-2-yl)imidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105421223
[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-2-yl]methanamine
CID 66409050
2-[3-(oxan-3-ylmethyl)imidazol-4-yl]propan-2-amine
CID 114704890
N-[(3-ethylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395446
7-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one
CID 102685782

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,2,4-oxadiazol-3-ylmethyl)imidazol-4-yl]propan-2-amine?
The IUPAC name of 2-[3-(1,2,4-oxadiazol-3-ylmethyl)imidazol-4-yl]propan-2-amine (CID 106410323) is 2-[3-(1,2,4-oxadiazol-3-ylmethyl)imidazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[3-(1,2,4-oxadiazol-3-ylmethyl)imidazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[3-(1,2,4-oxadiazol-3-ylmethyl)imidazol-4-yl]propan-2-amine is CC(C)(N)c1cncn1Cc1ncon1.
What is the InChIKey of 2-[3-(1,2,4-oxadiazol-3-ylmethyl)imidazol-4-yl]propan-2-amine?
The InChIKey is RSZITJOKOJEEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-9(2,10)7-3-11-5-14(7)4-8-12-6-15-13-8/h3,5-6H,4,10H2,1-2H3.
What are the key properties of 2-[3-(1,2,4-oxadiazol-3-ylmethyl)imidazol-4-yl]propan-2-amine?
2-[3-(1,2,4-oxadiazol-3-ylmethyl)imidazol-4-yl]propan-2-amine has a molecular weight of 207.24 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,2,4-oxadiazol-3-ylmethyl)imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 106410323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).