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

C9H12N4O2 — CID 106969017

IUPAC5-(aminomethyl)-N-[1-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCC(Nc1nnc(CN)o1)c1ccco1
InChIInChI=1S/C9H12N4O2/c1-6(7-3-2-4-14-7)11-9-13-12-8(5-10)15-9/h2-4,6H,5,10H2,1H3,(H,11,13)
InChIKeyNPOOXCBLVBKXCO-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.29
Rot. Bonds4

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

5-(aminomethyl)-N-[1-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106969017) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[1-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-[1-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106969017
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name5-(aminomethyl)-N-[1-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCC(Nc1nnc(CN)o1)c1ccco1
InChIInChI=1S/C9H12N4O2/c1-6(7-3-2-4-14-7)11-9-13-12-8(5-10)15-9/h2-4,6H,5,10H2,1H3,(H,11,13)
InChIKeyNPOOXCBLVBKXCO-UHFFFAOYSA-N
XLogP1.29
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106959621
5-(aminomethyl)-N-[3-(furan-2-yl)-3-phenylpropyl]-1,3,4-oxadiazol-2-amine;hydrochloride
CID 154917316
(1S)-1-(furan-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 107914769
1-(furan-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 103605606
(1R)-1-(furan-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 107914770
5-(aminomethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine
CID 106966295
N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine
CID 60889681
5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106970670
N-[(1R)-1-(furan-2-yl)ethyl]ethanesulfonamide
CID 81400303
2-(aminomethyl)-N-[1-(furan-2-yl)ethyl]pyridine-3-sulfonamide
CID 106593879
5-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]furan-2-carboxamide
CID 81401039
2-fluoro-N-[1-(furan-2-yl)ethyl]aniline
CID 43194896

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[1-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-[1-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine (CID 106969017) is 5-(aminomethyl)-N-[1-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-[1-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-[1-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine is CC(Nc1nnc(CN)o1)c1ccco1.
What is the InChIKey of 5-(aminomethyl)-N-[1-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is NPOOXCBLVBKXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-6(7-3-2-4-14-7)11-9-13-12-8(5-10)15-9/h2-4,6H,5,10H2,1H3,(H,11,13).
What are the key properties of 5-(aminomethyl)-N-[1-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
5-(aminomethyl)-N-[1-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 208.22 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[1-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106969017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).