[4-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine;hydrochloride

C16H18ClN3O4 — CID 120838927

IUPAC[4-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine;hydrochloride
SMILESCOc1cccc(COCc2noc(-c3coc(CN)c3)n2)c1.Cl
InChIInChI=1S/C16H17N3O4.ClH/c1-20-13-4-2-3-11(5-13)8-21-10-15-18-16(23-19-15)12-6-14(7-17)22-9-12;/h2-6,9H,7-8,10,17H2,1H3;1H
InChIKeyNFWLWJDMSFTJSS-UHFFFAOYSA-N
MW351.79 g/mol
LogP2.94
Rot. Bonds7

About [4-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine;hydrochloride

[4-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine;hydrochloride (PubChem CID 120838927) has the molecular formula C16H18ClN3O4 and a molecular weight of 351.79 g/mol. Its IUPAC name is [4-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine;hydrochloride
PubChem CID120838927
Molecular FormulaC16H18ClN3O4
Molecular Weight351.79 g/mol
Exact Mass351.10
IUPAC Name[4-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine;hydrochloride
SMILESCOc1cccc(COCc2noc(-c3coc(CN)c3)n2)c1.Cl
InChIInChI=1S/C16H17N3O4.ClH/c1-20-13-4-2-3-11(5-13)8-21-10-15-18-16(23-19-15)12-6-14(7-17)22-9-12;/h2-6,9H,7-8,10,17H2,1H3;1H
InChIKeyNFWLWJDMSFTJSS-UHFFFAOYSA-N
XLogP2.94
TPSA96.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]-(4-methylphenyl)methanamine
CID 120838934
3-[(3-methoxyphenyl)methoxymethyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120838978
(2R)-2-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120838949
[4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine
CID 120841493
(2S)-2-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine
CID 120838954
5-(4,4-difluoropyrrolidin-2-yl)-3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazole
CID 120838871
2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride
CID 71757143
6-[(3-methoxyphenyl)methoxymethyl]pyridin-2-amine
CID 79240022
5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazole;hydrochloride
CID 120838912
2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115079231
[4-[5-[1-[(3-methoxyphenyl)methoxy]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
CID 120893106
2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 61262732

Frequently Asked Questions

What is the IUPAC name of [4-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine;hydrochloride?
The IUPAC name of [4-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine;hydrochloride (CID 120838927) is [4-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [4-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine;hydrochloride?
The canonical SMILES for [4-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine;hydrochloride is COc1cccc(COCc2noc(-c3coc(CN)c3)n2)c1.Cl.
What is the InChIKey of [4-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine;hydrochloride?
The InChIKey is NFWLWJDMSFTJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4.ClH/c1-20-13-4-2-3-11(5-13)8-21-10-15-18-16(23-19-15)12-6-14(7-17)22-9-12;/h2-6,9H,7-8,10,17H2,1H3;1H.
What are the key properties of [4-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine;hydrochloride?
[4-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine;hydrochloride has a molecular weight of 351.79 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120838927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).