N-(1H-imidazol-2-ylmethyl)-5-(2-methylpropyl)-1,3,4-oxadiazol-2-amine

C10H15N5O — CID 115925212

IUPACN-(1H-imidazol-2-ylmethyl)-5-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)Cc1nnc(NCc2ncc[nH]2)o1
InChIInChI=1S/C10H15N5O/c1-7(2)5-9-14-15-10(16-9)13-6-8-11-3-4-12-8/h3-4,7H,5-6H2,1-2H3,(H,11,12)(H,13,15)
InChIKeyNNIHYVYHNFFSGR-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.60
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-5-(2-methylpropyl)-1,3,4-oxadiazol-2-amine

N-(1H-imidazol-2-ylmethyl)-5-(2-methylpropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 115925212) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-5-(2-methylpropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-5-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
PubChem CID115925212
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC NameN-(1H-imidazol-2-ylmethyl)-5-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)Cc1nnc(NCc2ncc[nH]2)o1
InChIInChI=1S/C10H15N5O/c1-7(2)5-9-14-15-10(16-9)13-6-8-11-3-4-12-8/h3-4,7H,5-6H2,1-2H3,(H,11,12)(H,13,15)
InChIKeyNNIHYVYHNFFSGR-UHFFFAOYSA-N
XLogP1.60
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-5-(2-methylpropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-5-(2-methylpropyl)-1,3,4-oxadiazol-2-amine (CID 115925212) is N-(1H-imidazol-2-ylmethyl)-5-(2-methylpropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-5-(2-methylpropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-5-(2-methylpropyl)-1,3,4-oxadiazol-2-amine is CC(C)Cc1nnc(NCc2ncc[nH]2)o1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-5-(2-methylpropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is NNIHYVYHNFFSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-7(2)5-9-14-15-10(16-9)13-6-8-11-3-4-12-8/h3-4,7H,5-6H2,1-2H3,(H,11,12)(H,13,15).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-5-(2-methylpropyl)-1,3,4-oxadiazol-2-amine?
N-(1H-imidazol-2-ylmethyl)-5-(2-methylpropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 221.26 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-5-(2-methylpropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 115925212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).