5-(aminomethyl)-N-[3-(furan-2-yl)-3-phenylpropyl]-1,3,4-oxadiazol-2-amine;hydrochloride

C16H19ClN4O2 — CID 154917316

IUPAC5-(aminomethyl)-N-[3-(furan-2-yl)-3-phenylpropyl]-1,3,4-oxadiazol-2-amine;hydrochloride
SMILESCl.NCc1nnc(NCCC(c2ccccc2)c2ccco2)o1
InChIInChI=1S/C16H18N4O2.ClH/c17-11-15-19-20-16(22-15)18-9-8-13(14-7-4-10-21-14)12-5-2-1-3-6-12;/h1-7,10,13H,8-9,11,17H2,(H,18,20);1H
InChIKeyLRHRVWSDDBDHNX-UHFFFAOYSA-N
MW334.81 g/mol
LogP3.18
Rot. Bonds7

About 5-(aminomethyl)-N-[3-(furan-2-yl)-3-phenylpropyl]-1,3,4-oxadiazol-2-amine;hydrochloride

5-(aminomethyl)-N-[3-(furan-2-yl)-3-phenylpropyl]-1,3,4-oxadiazol-2-amine;hydrochloride (PubChem CID 154917316) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[3-(furan-2-yl)-3-phenylpropyl]-1,3,4-oxadiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-N-[3-(furan-2-yl)-3-phenylpropyl]-1,3,4-oxadiazol-2-amine;hydrochloride
PubChem CID154917316
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name5-(aminomethyl)-N-[3-(furan-2-yl)-3-phenylpropyl]-1,3,4-oxadiazol-2-amine;hydrochloride
SMILESCl.NCc1nnc(NCCC(c2ccccc2)c2ccco2)o1
InChIInChI=1S/C16H18N4O2.ClH/c17-11-15-19-20-16(22-15)18-9-8-13(14-7-4-10-21-14)12-5-2-1-3-6-12;/h1-7,10,13H,8-9,11,17H2,(H,18,20);1H
InChIKeyLRHRVWSDDBDHNX-UHFFFAOYSA-N
XLogP3.18
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[3-(furan-2-yl)-3-phenylpropyl]-1,3,4-oxadiazol-2-amine;hydrochloride?
The IUPAC name of 5-(aminomethyl)-N-[3-(furan-2-yl)-3-phenylpropyl]-1,3,4-oxadiazol-2-amine;hydrochloride (CID 154917316) is 5-(aminomethyl)-N-[3-(furan-2-yl)-3-phenylpropyl]-1,3,4-oxadiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-(aminomethyl)-N-[3-(furan-2-yl)-3-phenylpropyl]-1,3,4-oxadiazol-2-amine;hydrochloride?
The canonical SMILES for 5-(aminomethyl)-N-[3-(furan-2-yl)-3-phenylpropyl]-1,3,4-oxadiazol-2-amine;hydrochloride is Cl.NCc1nnc(NCCC(c2ccccc2)c2ccco2)o1.
What is the InChIKey of 5-(aminomethyl)-N-[3-(furan-2-yl)-3-phenylpropyl]-1,3,4-oxadiazol-2-amine;hydrochloride?
The InChIKey is LRHRVWSDDBDHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2.ClH/c17-11-15-19-20-16(22-15)18-9-8-13(14-7-4-10-21-14)12-5-2-1-3-6-12;/h1-7,10,13H,8-9,11,17H2,(H,18,20);1H.
What are the key properties of 5-(aminomethyl)-N-[3-(furan-2-yl)-3-phenylpropyl]-1,3,4-oxadiazol-2-amine;hydrochloride?
5-(aminomethyl)-N-[3-(furan-2-yl)-3-phenylpropyl]-1,3,4-oxadiazol-2-amine;hydrochloride has a molecular weight of 334.81 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[3-(furan-2-yl)-3-phenylpropyl]-1,3,4-oxadiazol-2-amine;hydrochloride is sourced from PubChem (CID 154917316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).