[2-(aminomethyl)-1,3-oxazol-4-yl]-[3-(3-methylphenoxy)azetidin-1-yl]methanone;hydrochloride

C15H18ClN3O3 — CID 154912108

IUPAC[2-(aminomethyl)-1,3-oxazol-4-yl]-[3-(3-methylphenoxy)azetidin-1-yl]methanone;hydrochloride
SMILESCc1cccc(OC2CN(C(=O)c3coc(CN)n3)C2)c1.Cl
InChIInChI=1S/C15H17N3O3.ClH/c1-10-3-2-4-11(5-10)21-12-7-18(8-12)15(19)13-9-20-14(6-16)17-13;/h2-5,9,12H,6-8,16H2,1H3;1H
InChIKeyLGYIVRBNJPOMED-UHFFFAOYSA-N
MW323.78 g/mol
LogP1.77
Rot. Bonds4

About [2-(aminomethyl)-1,3-oxazol-4-yl]-[3-(3-methylphenoxy)azetidin-1-yl]methanone;hydrochloride

[2-(aminomethyl)-1,3-oxazol-4-yl]-[3-(3-methylphenoxy)azetidin-1-yl]methanone;hydrochloride (PubChem CID 154912108) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-oxazol-4-yl]-[3-(3-methylphenoxy)azetidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-oxazol-4-yl]-[3-(3-methylphenoxy)azetidin-1-yl]methanone;hydrochloride
PubChem CID154912108
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Name[2-(aminomethyl)-1,3-oxazol-4-yl]-[3-(3-methylphenoxy)azetidin-1-yl]methanone;hydrochloride
SMILESCc1cccc(OC2CN(C(=O)c3coc(CN)n3)C2)c1.Cl
InChIInChI=1S/C15H17N3O3.ClH/c1-10-3-2-4-11(5-10)21-12-7-18(8-12)15(19)13-9-20-14(6-16)17-13;/h2-5,9,12H,6-8,16H2,1H3;1H
InChIKeyLGYIVRBNJPOMED-UHFFFAOYSA-N
XLogP1.77
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(3-methylphenoxy)azetidin-1-yl]methanone
CID 70770628
[3-(3-methylphenoxy)azetidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 70723973
[6-[3-(3-methylphenoxy)azetidin-1-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 134703286
[3-(3-hydroxy-3-methylbutyl)phenyl]-[3-(3-methylphenoxy)azetidin-1-yl]methanone
CID 70772785
1-[(3aS,4R,6aR)-2-[2-(aminomethyl)-1,3-oxazole-4-carbonyl]-4-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone;hydrochloride
CID 171706883
[2-(aminomethyl)-1,3-oxazol-4-yl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 134708851
[3-(3-ethylphenoxy)azetidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70730822
(3-methylphenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 122249483
[4-(3-methylphenoxy)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 46978422
(3S)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidine-1-carboxamide
CID 97113057
N,N-dimethyl-1-[5-[3-(3-methylphenoxy)azetidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine
CID 137334377
(1R,9S)-11-[2-(aminomethyl)-1,3-oxazole-4-carbonyl]-4-pyridin-3-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 172668895

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-oxazol-4-yl]-[3-(3-methylphenoxy)azetidin-1-yl]methanone;hydrochloride?
The IUPAC name of [2-(aminomethyl)-1,3-oxazol-4-yl]-[3-(3-methylphenoxy)azetidin-1-yl]methanone;hydrochloride (CID 154912108) is [2-(aminomethyl)-1,3-oxazol-4-yl]-[3-(3-methylphenoxy)azetidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)-1,3-oxazol-4-yl]-[3-(3-methylphenoxy)azetidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [2-(aminomethyl)-1,3-oxazol-4-yl]-[3-(3-methylphenoxy)azetidin-1-yl]methanone;hydrochloride is Cc1cccc(OC2CN(C(=O)c3coc(CN)n3)C2)c1.Cl.
What is the InChIKey of [2-(aminomethyl)-1,3-oxazol-4-yl]-[3-(3-methylphenoxy)azetidin-1-yl]methanone;hydrochloride?
The InChIKey is LGYIVRBNJPOMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3.ClH/c1-10-3-2-4-11(5-10)21-12-7-18(8-12)15(19)13-9-20-14(6-16)17-13;/h2-5,9,12H,6-8,16H2,1H3;1H.
What are the key properties of [2-(aminomethyl)-1,3-oxazol-4-yl]-[3-(3-methylphenoxy)azetidin-1-yl]methanone;hydrochloride?
[2-(aminomethyl)-1,3-oxazol-4-yl]-[3-(3-methylphenoxy)azetidin-1-yl]methanone;hydrochloride has a molecular weight of 323.78 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-oxazol-4-yl]-[3-(3-methylphenoxy)azetidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 154912108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).