N-(furan-2-ylmethyl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride

C11H16ClN3O2 — CID 115671366

IUPACN-(furan-2-ylmethyl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride
SMILESCCC(NCc1ccco1)c1noc(C)n1.Cl
InChIInChI=1S/C11H15N3O2.ClH/c1-3-10(11-13-8(2)16-14-11)12-7-9-5-4-6-15-9;/h4-6,10,12H,3,7H2,1-2H3;1H
InChIKeyVDHOFJCXVRYWMY-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.63
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride

N-(furan-2-ylmethyl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride (PubChem CID 115671366) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride
PubChem CID115671366
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC NameN-(furan-2-ylmethyl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride
SMILESCCC(NCc1ccco1)c1noc(C)n1.Cl
InChIInChI=1S/C11H15N3O2.ClH/c1-3-10(11-13-8(2)16-14-11)12-7-9-5-4-6-15-9;/h4-6,10,12H,3,7H2,1-2H3;1H
InChIKeyVDHOFJCXVRYWMY-UHFFFAOYSA-N
XLogP2.63
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 130626350
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 111566580
N-(furan-2-ylmethyl)-2,2-dimethylpentan-3-amine;hydrochloride
CID 115616067
4-(furan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine
CID 107911508
1-(furan-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 62634003
(2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine
CID 28608389
1-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine
CID 43200433
2-(furan-2-ylmethylamino)butan-1-ol
CID 4722612
4-bromo-2-[1-(furan-2-ylmethylamino)propyl]phenol
CID 16783553
1-(furan-2-ylmethyl)-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 111465127
ethyl 2-(furan-2-ylmethylamino)butanoate
CID 64667944
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 113350444

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride?
The IUPAC name of N-(furan-2-ylmethyl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride (CID 115671366) is N-(furan-2-ylmethyl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride is CCC(NCc1ccco1)c1noc(C)n1.Cl.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride?
The InChIKey is VDHOFJCXVRYWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2.ClH/c1-3-10(11-13-8(2)16-14-11)12-7-9-5-4-6-15-9;/h4-6,10,12H,3,7H2,1-2H3;1H.
What are the key properties of N-(furan-2-ylmethyl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride?
N-(furan-2-ylmethyl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride has a molecular weight of 257.72 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 115671366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).