1-(1,2,4-oxadiazol-3-yl)-3-phenylmethoxycyclobutan-1-amine;hydrochloride

C13H16ClN3O2 — CID 130455172

IUPAC1-(1,2,4-oxadiazol-3-yl)-3-phenylmethoxycyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2ncon2)CC(OCc2ccccc2)C1
InChIInChI=1S/C13H15N3O2.ClH/c14-13(12-15-9-18-16-12)6-11(7-13)17-8-10-4-2-1-3-5-10;/h1-5,9,11H,6-8,14H2;1H
InChIKeyKNFVPRNRNZAABK-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.02
Rot. Bonds4

About 1-(1,2,4-oxadiazol-3-yl)-3-phenylmethoxycyclobutan-1-amine;hydrochloride

1-(1,2,4-oxadiazol-3-yl)-3-phenylmethoxycyclobutan-1-amine;hydrochloride (PubChem CID 130455172) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 1-(1,2,4-oxadiazol-3-yl)-3-phenylmethoxycyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(1,2,4-oxadiazol-3-yl)-3-phenylmethoxycyclobutan-1-amine;hydrochloride
PubChem CID130455172
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name1-(1,2,4-oxadiazol-3-yl)-3-phenylmethoxycyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2ncon2)CC(OCc2ccccc2)C1
InChIInChI=1S/C13H15N3O2.ClH/c14-13(12-15-9-18-16-12)6-11(7-13)17-8-10-4-2-1-3-5-10;/h1-5,9,11H,6-8,14H2;1H
InChIKeyKNFVPRNRNZAABK-UHFFFAOYSA-N
XLogP2.02
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-amino-3-phenylmethoxycyclobutyl)methanol;hydrochloride
CID 121282495
3-methyl-1-(1,2,4-oxadiazol-3-yl)cyclobutan-1-amine
CID 103563968
1-methoxy-3-phenylmethoxycyclobutan-1-amine
CID 174783197
3-phenylmethoxycyclobutane-1,1-diol
CID 170382479
1-phenyl-3-phenylmethoxycyclobutan-1-ol
CID 135138338
1-hydroxy-3-phenylmethoxycyclobutane-1-carboxylic acid
CID 149153047
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
[1-(aminomethyl)-3-phenylmethoxycyclobutyl]methylidene-propylideneazanium
CID 149427220
4-phenylmethoxyoxane
CID 66554133
3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 12882576
(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 122657901
1-(aminomethyl)-4-phenylmethoxycyclohexan-1-ol;hydrochloride
CID 69471607

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-oxadiazol-3-yl)-3-phenylmethoxycyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-(1,2,4-oxadiazol-3-yl)-3-phenylmethoxycyclobutan-1-amine;hydrochloride (CID 130455172) is 1-(1,2,4-oxadiazol-3-yl)-3-phenylmethoxycyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-(1,2,4-oxadiazol-3-yl)-3-phenylmethoxycyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-(1,2,4-oxadiazol-3-yl)-3-phenylmethoxycyclobutan-1-amine;hydrochloride is Cl.NC1(c2ncon2)CC(OCc2ccccc2)C1.
What is the InChIKey of 1-(1,2,4-oxadiazol-3-yl)-3-phenylmethoxycyclobutan-1-amine;hydrochloride?
The InChIKey is KNFVPRNRNZAABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2.ClH/c14-13(12-15-9-18-16-12)6-11(7-13)17-8-10-4-2-1-3-5-10;/h1-5,9,11H,6-8,14H2;1H.
What are the key properties of 1-(1,2,4-oxadiazol-3-yl)-3-phenylmethoxycyclobutan-1-amine;hydrochloride?
1-(1,2,4-oxadiazol-3-yl)-3-phenylmethoxycyclobutan-1-amine;hydrochloride has a molecular weight of 281.74 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-oxadiazol-3-yl)-3-phenylmethoxycyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 130455172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).