5-(4-methoxyphenyl)-3-(morpholin-2-ylmethylamino)-1,2-oxazole-4-carboxylic acid;hydrochloride

C16H20ClN3O5 — CID 154916034

IUPAC5-(4-methoxyphenyl)-3-(morpholin-2-ylmethylamino)-1,2-oxazole-4-carboxylic acid;hydrochloride
SMILESCOc1ccc(-c2onc(NCC3CNCCO3)c2C(=O)O)cc1.Cl
InChIInChI=1S/C16H19N3O5.ClH/c1-22-11-4-2-10(3-5-11)14-13(16(20)21)15(19-24-14)18-9-12-8-17-6-7-23-12;/h2-5,12,17H,6-9H2,1H3,(H,18,19)(H,20,21);1H
InChIKeyRJYVVGLHFBOKKK-UHFFFAOYSA-N
MW369.81 g/mol
LogP1.87
Rot. Bonds6

About 5-(4-methoxyphenyl)-3-(morpholin-2-ylmethylamino)-1,2-oxazole-4-carboxylic acid;hydrochloride

5-(4-methoxyphenyl)-3-(morpholin-2-ylmethylamino)-1,2-oxazole-4-carboxylic acid;hydrochloride (PubChem CID 154916034) has the molecular formula C16H20ClN3O5 and a molecular weight of 369.81 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-(morpholin-2-ylmethylamino)-1,2-oxazole-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-(morpholin-2-ylmethylamino)-1,2-oxazole-4-carboxylic acid;hydrochloride
PubChem CID154916034
Molecular FormulaC16H20ClN3O5
Molecular Weight369.81 g/mol
Exact Mass369.11
IUPAC Name5-(4-methoxyphenyl)-3-(morpholin-2-ylmethylamino)-1,2-oxazole-4-carboxylic acid;hydrochloride
SMILESCOc1ccc(-c2onc(NCC3CNCCO3)c2C(=O)O)cc1.Cl
InChIInChI=1S/C16H19N3O5.ClH/c1-22-11-4-2-10(3-5-11)14-13(16(20)21)15(19-24-14)18-9-12-8-17-6-7-23-12;/h2-5,12,17H,6-9H2,1H3,(H,18,19)(H,20,21);1H
InChIKeyRJYVVGLHFBOKKK-UHFFFAOYSA-N
XLogP1.87
TPSA105.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

acetic acid;5-(4-methoxyphenyl)-3-(piperidin-4-ylmethylamino)-1,2-oxazole-4-carboxylic acid
CID 154916482
5-(4-methoxyphenyl)-3-[2-(oxolan-3-yl)ethylamino]-1,2-oxazole-4-carboxylic acid
CID 163315225
3-[(1-cyclopentylpyrrolidin-3-yl)methylamino]-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 135113101
3-[[3-(dimethylamino)-2-methylpropyl]amino]-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 135117861
N-[(4-methoxyphenyl)methyl]-1-morpholin-2-ylmethanamine
CID 115237605
5-(4-chlorophenyl)-3-(2-oxa-8-azaspiro[4.5]decan-3-ylmethylamino)-1,2-oxazole-4-carboxylic acid
CID 135109736
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 135116460
5-(4-methoxyphenyl)-3-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methylamino]-1,2-oxazole-4-carboxylic acid
CID 163312548
N-[(4-methoxyphenyl)methyl]-2-morpholin-2-ylacetamide
CID 66434532
3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-(morpholin-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 135097884
5-(4-methoxyphenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 92757648
4,6-dimethyl-2-(morpholin-2-ylmethylamino)pyridine-3-carboxamide
CID 115324061

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-(morpholin-2-ylmethylamino)-1,2-oxazole-4-carboxylic acid;hydrochloride?
The IUPAC name of 5-(4-methoxyphenyl)-3-(morpholin-2-ylmethylamino)-1,2-oxazole-4-carboxylic acid;hydrochloride (CID 154916034) is 5-(4-methoxyphenyl)-3-(morpholin-2-ylmethylamino)-1,2-oxazole-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-(morpholin-2-ylmethylamino)-1,2-oxazole-4-carboxylic acid;hydrochloride?
The canonical SMILES for 5-(4-methoxyphenyl)-3-(morpholin-2-ylmethylamino)-1,2-oxazole-4-carboxylic acid;hydrochloride is COc1ccc(-c2onc(NCC3CNCCO3)c2C(=O)O)cc1.Cl.
What is the InChIKey of 5-(4-methoxyphenyl)-3-(morpholin-2-ylmethylamino)-1,2-oxazole-4-carboxylic acid;hydrochloride?
The InChIKey is RJYVVGLHFBOKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5.ClH/c1-22-11-4-2-10(3-5-11)14-13(16(20)21)15(19-24-14)18-9-12-8-17-6-7-23-12;/h2-5,12,17H,6-9H2,1H3,(H,18,19)(H,20,21);1H.
What are the key properties of 5-(4-methoxyphenyl)-3-(morpholin-2-ylmethylamino)-1,2-oxazole-4-carboxylic acid;hydrochloride?
5-(4-methoxyphenyl)-3-(morpholin-2-ylmethylamino)-1,2-oxazole-4-carboxylic acid;hydrochloride has a molecular weight of 369.81 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-(morpholin-2-ylmethylamino)-1,2-oxazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 154916034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).