N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine

C14H17N3O2 — CID 61374743

IUPACN-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
SMILESCOc1ccc(Cc2noc(CNC3CC3)n2)cc1
InChIInChI=1S/C14H17N3O2/c1-18-12-6-2-10(3-7-12)8-13-16-14(19-17-13)9-15-11-4-5-11/h2-3,6-7,11,15H,4-5,8-9H2,1H3
InChIKeyGWGBLQZBBQAUQE-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.92
Rot. Bonds6

About N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine

N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine (PubChem CID 61374743) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
PubChem CID61374743
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
SMILESCOc1ccc(Cc2noc(CNC3CC3)n2)cc1
InChIInChI=1S/C14H17N3O2/c1-18-12-6-2-10(3-7-12)8-13-16-14(19-17-13)9-15-11-4-5-11/h2-3,6-7,11,15H,4-5,8-9H2,1H3
InChIKeyGWGBLQZBBQAUQE-UHFFFAOYSA-N
XLogP1.92
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 55065514
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 60722113
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-oxadiazole
CID 12762723
5-[[(2R,4S)-2-ethyloxan-4-yl]methyl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 124864024
5-[(2-ethyloxan-4-yl)methyl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 119043444
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]oxan-3-amine
CID 63363355
N-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62702803
4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 782105
1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one
CID 63345344
4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63349298
1,1-difluoro-3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63345472

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine (CID 61374743) is N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine is COc1ccc(Cc2noc(CNC3CC3)n2)cc1.
What is the InChIKey of N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is GWGBLQZBBQAUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-18-12-6-2-10(3-7-12)8-13-16-14(19-17-13)9-15-11-4-5-11/h2-3,6-7,11,15H,4-5,8-9H2,1H3.
What are the key properties of N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine?
N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 259.31 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 61374743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).