1-morpholin-4-yl-3-[(3-phenyl-1,2-oxazol-5-yl)methoxy]propan-2-ol;hydrochloride

C17H23ClN2O4 — CID 67629387

IUPAC1-morpholin-4-yl-3-[(3-phenyl-1,2-oxazol-5-yl)methoxy]propan-2-ol;hydrochloride
SMILESCl.OC(COCc1cc(-c2ccccc2)no1)CN1CCOCC1
InChIInChI=1S/C17H22N2O4.ClH/c20-15(11-19-6-8-21-9-7-19)12-22-13-16-10-17(18-23-16)14-4-2-1-3-5-14;/h1-5,10,15,20H,6-9,11-13H2;1H
InChIKeyYSHBLBPGVQHGPA-UHFFFAOYSA-N
MW354.83 g/mol
LogP1.97
Rot. Bonds7

About 1-morpholin-4-yl-3-[(3-phenyl-1,2-oxazol-5-yl)methoxy]propan-2-ol;hydrochloride

1-morpholin-4-yl-3-[(3-phenyl-1,2-oxazol-5-yl)methoxy]propan-2-ol;hydrochloride (PubChem CID 67629387) has the molecular formula C17H23ClN2O4 and a molecular weight of 354.83 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[(3-phenyl-1,2-oxazol-5-yl)methoxy]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[(3-phenyl-1,2-oxazol-5-yl)methoxy]propan-2-ol;hydrochloride
PubChem CID67629387
Molecular FormulaC17H23ClN2O4
Molecular Weight354.83 g/mol
Exact Mass354.13
IUPAC Name1-morpholin-4-yl-3-[(3-phenyl-1,2-oxazol-5-yl)methoxy]propan-2-ol;hydrochloride
SMILESCl.OC(COCc1cc(-c2ccccc2)no1)CN1CCOCC1
InChIInChI=1S/C17H22N2O4.ClH/c20-15(11-19-6-8-21-9-7-19)12-22-13-16-10-17(18-23-16)14-4-2-1-3-5-14;/h1-5,10,15,20H,6-9,11-13H2;1H
InChIKeyYSHBLBPGVQHGPA-UHFFFAOYSA-N
XLogP1.97
TPSA67.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-morpholin-4-yl-3-[(3-phenyl-1,2-oxazol-5-yl)methoxy]propan-2-ol;hydrochloride with MolForge

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Related Compounds

1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 67637838
(2R)-1-morpholin-4-yl-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2359827
1-[(3,4-dimethoxyphenyl)methoxy]-3-morpholin-4-ylpropan-2-ol
CID 2769761
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
5-(phenoxymethyl)-3-phenyl-1,2-oxazole
CID 1480808
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
(2S)-1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 942774
1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2771920
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
N-(2-hydroxy-3-phenylpropyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56747995
(2S)-1-(furan-2-ylmethoxy)-3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95271858

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[(3-phenyl-1,2-oxazol-5-yl)methoxy]propan-2-ol;hydrochloride?
The IUPAC name of 1-morpholin-4-yl-3-[(3-phenyl-1,2-oxazol-5-yl)methoxy]propan-2-ol;hydrochloride (CID 67629387) is 1-morpholin-4-yl-3-[(3-phenyl-1,2-oxazol-5-yl)methoxy]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-morpholin-4-yl-3-[(3-phenyl-1,2-oxazol-5-yl)methoxy]propan-2-ol;hydrochloride?
The canonical SMILES for 1-morpholin-4-yl-3-[(3-phenyl-1,2-oxazol-5-yl)methoxy]propan-2-ol;hydrochloride is Cl.OC(COCc1cc(-c2ccccc2)no1)CN1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-[(3-phenyl-1,2-oxazol-5-yl)methoxy]propan-2-ol;hydrochloride?
The InChIKey is YSHBLBPGVQHGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4.ClH/c20-15(11-19-6-8-21-9-7-19)12-22-13-16-10-17(18-23-16)14-4-2-1-3-5-14;/h1-5,10,15,20H,6-9,11-13H2;1H.
What are the key properties of 1-morpholin-4-yl-3-[(3-phenyl-1,2-oxazol-5-yl)methoxy]propan-2-ol;hydrochloride?
1-morpholin-4-yl-3-[(3-phenyl-1,2-oxazol-5-yl)methoxy]propan-2-ol;hydrochloride has a molecular weight of 354.83 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[(3-phenyl-1,2-oxazol-5-yl)methoxy]propan-2-ol;hydrochloride is sourced from PubChem (CID 67629387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).