(1R)-1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine

C13H15N5O — CID 104915286

IUPAC(1R)-1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC[C@@H](N)c1nc(Cc2nc3ccccc3[nH]2)no1
InChIInChI=1S/C13H15N5O/c1-2-8(14)13-17-12(18-19-13)7-11-15-9-5-3-4-6-10(9)16-11/h3-6,8H,2,7,14H2,1H3,(H,15,16)/t8-/m1/s1
InChIKeyBCMNHKYISDGIRP-MRVPVSSYSA-N
MW257.30 g/mol
LogP1.95
Rot. Bonds4

About (1R)-1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine

(1R)-1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 104915286) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is (1R)-1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID104915286
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name(1R)-1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC[C@@H](N)c1nc(Cc2nc3ccccc3[nH]2)no1
InChIInChI=1S/C13H15N5O/c1-2-8(14)13-17-12(18-19-13)7-11-15-9-5-3-4-6-10(9)16-11/h3-6,8H,2,7,14H2,1H3,(H,15,16)/t8-/m1/s1
InChIKeyBCMNHKYISDGIRP-MRVPVSSYSA-N
XLogP1.95
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R)-1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine with MolForge

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Related Compounds

(2S)-2-amino-2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 98566278
3-amino-3-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 63638396
2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 63639809
N-[1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 63640674
2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine
CID 63637550
3-(1H-benzimidazol-2-ylmethyl)-5-ethyl-1,2,4-oxadiazole
CID 16615146
(1S)-1-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104880736
1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one
CID 63641529
4-[[5-(1-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 43470380
5-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 63637029
2-[[(2S)-butan-2-yl]sulfanylmethyl]-1H-benzimidazole
CID 886868
2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63640322

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 104915286) is (1R)-1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CC[C@@H](N)c1nc(Cc2nc3ccccc3[nH]2)no1.
What is the InChIKey of (1R)-1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is BCMNHKYISDGIRP-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-2-8(14)13-17-12(18-19-13)7-11-15-9-5-3-4-6-10(9)16-11/h3-6,8H,2,7,14H2,1H3,(H,15,16)/t8-/m1/s1.
What are the key properties of (1R)-1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
(1R)-1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 257.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 104915286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).