[4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride

C19H28ClN3O3 — CID 154888895

IUPAC[4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride
SMILESCOc1ccc(-c2nc(CN3CCOC(CN)C3)c(C)o2)c(C)c1C.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-12-13(2)18(23-4)6-5-16(12)19-21-17(14(3)25-19)11-22-7-8-24-15(9-20)10-22;/h5-6,15H,7-11,20H2,1-4H3;1H
InChIKeyNQVGBQAZGZNZLV-UHFFFAOYSA-N
MW381.90 g/mol
LogP2.86
Rot. Bonds5

About [4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride

[4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride (PubChem CID 154888895) has the molecular formula C19H28ClN3O3 and a molecular weight of 381.90 g/mol. Its IUPAC name is [4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride
PubChem CID154888895
Molecular FormulaC19H28ClN3O3
Molecular Weight381.90 g/mol
Exact Mass381.18
IUPAC Name[4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride
SMILESCOc1ccc(-c2nc(CN3CCOC(CN)C3)c(C)o2)c(C)c1C.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-12-13(2)18(23-4)6-5-16(12)19-21-17(14(3)25-19)11-22-7-8-24-15(9-20)10-22;/h5-6,15H,7-11,20H2,1-4H3;1H
InChIKeyNQVGBQAZGZNZLV-UHFFFAOYSA-N
XLogP2.86
TPSA73.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride with MolForge

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Related Compounds

4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholine
CID 56877513
[(2S)-4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine
CID 95197021
2-(4-methoxy-2,3-dimethylphenyl)-4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 56873656
2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
CID 42518336
(2R)-2-ethyl-4-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholine
CID 95550186
4-(hydroxymethyl)-1-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-ol
CID 56864778
[(3S)-1-[[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methanol
CID 95194346
[4-[(2,3,4-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine
CID 114393343
2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,3-oxazole
CID 95217240
2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazole
CID 56739679
2-(4-methoxynaphthalen-1-yl)-5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole
CID 56739301
2-(4-methoxy-2,3-dimethylphenyl)-4-[[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 26391215

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride?
The IUPAC name of [4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride (CID 154888895) is [4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride is COc1ccc(-c2nc(CN3CCOC(CN)C3)c(C)o2)c(C)c1C.Cl.
What is the InChIKey of [4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride?
The InChIKey is NQVGBQAZGZNZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3.ClH/c1-12-13(2)18(23-4)6-5-16(12)19-21-17(14(3)25-19)11-22-7-8-24-15(9-20)10-22;/h5-6,15H,7-11,20H2,1-4H3;1H.
What are the key properties of [4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride?
[4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride has a molecular weight of 381.90 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 154888895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).