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

C9H13N5O — CID 106659641

IUPACN-(1-imidazol-1-ylpropan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NC(C)Cn2ccnc2)n1
InChIInChI=1S/C9H13N5O/c1-7(5-14-4-3-10-6-14)11-9-12-8(2)13-15-9/h3-4,6-7H,5H2,1-2H3,(H,11,12,13)
InChIKeyVNVZSJSXRBAOMU-UHFFFAOYSA-N
MW207.24 g/mol
LogP1.08
Rot. Bonds4

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

N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine (PubChem CID 106659641) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine
PubChem CID106659641
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NC(C)Cn2ccnc2)n1
InChIInChI=1S/C9H13N5O/c1-7(5-14-4-3-10-6-14)11-9-12-8(2)13-15-9/h3-4,6-7H,5H2,1-2H3,(H,11,12,13)
InChIKeyVNVZSJSXRBAOMU-UHFFFAOYSA-N
XLogP1.08
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-(5-methylhexan-2-yl)-1,2,4-oxadiazol-5-amine
CID 106659745
2,3,4,5,6-pentafluoro-N-(1-imidazol-1-ylpropan-2-yl)aniline
CID 61482768
5-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2,5-diamine
CID 61479602
4-N-(1-imidazol-1-ylpropan-2-yl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80985899
4-(1-imidazol-1-ylpropan-2-ylamino)benzoic acid
CID 62230868
4-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80986213
2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 62341885
3,5,6-trichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
CID 102750662
6-chloro-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80736024
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-3-methylpyridin-2-amine
CID 79718384
3-bromo-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpyridin-2-amine
CID 106875615
3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1,2,4-triazin-5-amine
CID 82239276

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine (CID 106659641) is N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine is Cc1noc(NC(C)Cn2ccnc2)n1.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine?
The InChIKey is VNVZSJSXRBAOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-7(5-14-4-3-10-6-14)11-9-12-8(2)13-15-9/h3-4,6-7H,5H2,1-2H3,(H,11,12,13).
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine?
N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine has a molecular weight of 207.24 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 106659641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).