[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone

C14H14N2O4 — CID 5309272

IUPAC[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2cccc(O)c2)on1)N1CCOCC1
InChIInChI=1S/C14H14N2O4/c17-11-3-1-2-10(8-11)13-9-12(15-20-13)14(18)16-4-6-19-7-5-16/h1-3,8-9,17H,4-7H2
InChIKeyURNBEXARQZDFKS-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.52
Rot. Bonds2

About [5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone

[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 5309272) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is [5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
PubChem CID5309272
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2cccc(O)c2)on1)N1CCOCC1
InChIInChI=1S/C14H14N2O4/c17-11-3-1-2-10(8-11)13-9-12(15-20-13)14(18)16-4-6-19-7-5-16/h1-3,8-9,17H,4-7H2
InChIKeyURNBEXARQZDFKS-UHFFFAOYSA-N
XLogP1.52
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Morpholin-4-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093793
4-{[5-(4-Methoxyphenyl)-1,2-oxazol-3-yl]carbonyl}morpholine
CID 17252835
Azepan-1-yl-(5-phenyl-isoxazol-3-yl)-methanone
CID 1093742
8-{[5-(4-Methylphenyl)-3-isoxazolyl]carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane
CID 1249903
5-Phenylisoxazol-3-yl 4-phenylpiperazinyl ketone
CID 1250455
N-[3-(4-morpholinyl)propyl]-5-phenyl-3-isoxazolecarboxamide
CID 2217157
N-cyclohexyl-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 3158158
5-(3-Methoxyphenyl)isoxazol-3-yl morpholin-4-yl ketone
CID 17252862
5-(3-Chlorophenyl)isoxazol-3-yl morpholin-4-yl ketone
CID 17252967
5-(3-hydroxyphenyl)-N-[2-(4-morpholinyl)ethyl]-3-isoxazolecarboxamide
CID 17253008
4-[5-(4-Fluorophenyl)-1,2-oxazole-3-carbonyl]morpholine
CID 22427390
4-[5-(2-Methoxyphenyl)-1,2-oxazole-3-carbonyl]morpholine
CID 22427430

Frequently Asked Questions

What is the IUPAC name of [5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (CID 5309272) is [5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone is O=C(c1cc(-c2cccc(O)c2)on1)N1CCOCC1.
What is the InChIKey of [5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is URNBEXARQZDFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-11-3-1-2-10(8-11)13-9-12(15-20-13)14(18)16-4-6-19-7-5-16/h1-3,8-9,17H,4-7H2.
What are the key properties of [5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 274.28 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 5309272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).