[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride

C11H13ClN2O2 — CID 50998515

IUPAC[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
SMILESCOc1cccc(-c2cc(CN)no2)c1.Cl
InChIInChI=1S/C11H12N2O2.ClH/c1-14-10-4-2-3-8(5-10)11-6-9(7-12)13-15-11;/h2-6H,7,12H2,1H3;1H
InChIKeyCBYRMYLPRIFYMT-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.23
Rot. Bonds3

About [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride

[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride (PubChem CID 50998515) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
PubChem CID50998515
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
SMILESCOc1cccc(-c2cc(CN)no2)c1.Cl
InChIInChI=1S/C11H12N2O2.ClH/c1-14-10-4-2-3-8(5-10)11-6-9(7-12)13-15-11;/h2-6H,7,12H2,1H3;1H
InChIKeyCBYRMYLPRIFYMT-UHFFFAOYSA-N
XLogP2.23
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride
CID 165481100
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylbenzoate
CID 16869792
4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866986
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-dimethoxybenzoate
CID 16869806
ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 53439047
[5-(3-methoxyphenyl)furan-2-yl]methanamine
CID 43826373
ethyl 2-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethylamino]-2-oxoacetate
CID 110314824
2-[[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzamide
CID 16879078
4-methoxy-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]benzamide
CID 110314795
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine
CID 122564765
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylphenyl)acetamide
CID 16878981
(5-phenyl-1,2-oxazol-3-yl)methyl 3-methoxybenzoate
CID 9019208

Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride?
The IUPAC name of [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride (CID 50998515) is [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride?
The canonical SMILES for [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride is COc1cccc(-c2cc(CN)no2)c1.Cl.
What is the InChIKey of [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride?
The InChIKey is CBYRMYLPRIFYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2.ClH/c1-14-10-4-2-3-8(5-10)11-6-9(7-12)13-15-11;/h2-6H,7,12H2,1H3;1H.
What are the key properties of [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride?
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride has a molecular weight of 240.69 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 50998515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).