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

C15H16N2O4 — CID 17252862

IUPAC[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCOCC3)no2)c1
InChIInChI=1S/C15H16N2O4/c1-19-12-4-2-3-11(9-12)14-10-13(16-21-14)15(18)17-5-7-20-8-6-17/h2-4,9-10H,5-8H2,1H3
InChIKeySXKPRLHIONCNJC-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.82
Rot. Bonds3

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

[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 17252862) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
PubChem CID17252862
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCOCC3)no2)c1
InChIInChI=1S/C15H16N2O4/c1-19-12-4-2-3-11(9-12)14-10-13(16-21-14)15(18)17-5-7-20-8-6-17/h2-4,9-10H,5-8H2,1H3
InChIKeySXKPRLHIONCNJC-UHFFFAOYSA-N
XLogP1.82
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Morpholin-4-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093793
5-(4-Methoxyphenyl)-3-[(pyrrolidin-1-yl)carbonyl]-1,2-oxazole
CID 6619182
4-{[5-(4-Methoxyphenyl)-1,2-oxazol-3-yl]carbonyl}morpholine
CID 17252835
8-{[5-(4-Methylphenyl)-3-isoxazolyl]carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane
CID 1249903
N-(furan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 973870
N-[3-(4-morpholinyl)propyl]-5-phenyl-3-isoxazolecarboxamide
CID 2217157
5-[(3,4-dimethylphenoxy)methyl]-N-(2-methyl-2-morpholino-propyl)isoxazole-3-carboxamide
CID 24818973
N-cyclohexyl-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 3158158
5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3494857
N-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3686576
[5-(1,3-Benzodioxol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone
CID 4080332
1-{[5-(1,3-Benzodioxol-5-yl)-3-isoxazolyl]carbonyl}-2-methylpiperidine
CID 4319000

Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (CID 17252862) is [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone is COc1cccc(-c2cc(C(=O)N3CCOCC3)no2)c1.
What is the InChIKey of [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is SXKPRLHIONCNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-19-12-4-2-3-11(9-12)14-10-13(16-21-14)15(18)17-5-7-20-8-6-17/h2-4,9-10H,5-8H2,1H3.
What are the key properties of [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 288.30 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 17252862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).