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

C16H18N2O5 — CID 22427462

IUPAC[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(OC)c(-c2cc(C(=O)N3CCOCC3)no2)c1
InChIInChI=1S/C16H18N2O5/c1-20-11-3-4-14(21-2)12(9-11)15-10-13(17-23-15)16(19)18-5-7-22-8-6-18/h3-4,9-10H,5-8H2,1-2H3
InChIKeyOSFVMCCUSVCQRH-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.83
Rot. Bonds4

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

[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 22427462) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is [5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
PubChem CID22427462
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(OC)c(-c2cc(C(=O)N3CCOCC3)no2)c1
InChIInChI=1S/C16H18N2O5/c1-20-11-3-4-14(21-2)12(9-11)15-10-13(17-23-15)16(19)18-5-7-22-8-6-18/h3-4,9-10H,5-8H2,1-2H3
InChIKeyOSFVMCCUSVCQRH-UHFFFAOYSA-N
XLogP1.83
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
N-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3686576
5-(3-Methoxyphenyl)isoxazol-3-yl morpholin-4-yl ketone
CID 17252862
5-(3-hydroxyphenyl)-N-[2-(4-morpholinyl)ethyl]-3-isoxazolecarboxamide
CID 17253008
4-[5-(2-Methoxyphenyl)-1,2-oxazole-3-carbonyl]morpholine
CID 22427430
4-({5-[(2,5-Dimethylphenoxy)methyl]-3-isoxazolyl}carbonyl)morpholine
CID 24790673
N-(Butan-2-YL)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 4518585
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[3-methoxy-4-(3-methylisoxazol-5-yl)phenyl]ethane-1,2-dione
CID 24994765
[2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 25163087
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[2-methoxy-4-(3-methylisoxazol-5-yl)phenyl]ethane-1,2-dione
CID 44189151
[4-(2-Methoxy-phenyl)-piperazin-1-yl]-(5-phenyl-isoxazol-3-yl)-methanone
CID 1093741

Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (CID 22427462) is [5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone is COc1ccc(OC)c(-c2cc(C(=O)N3CCOCC3)no2)c1.
What is the InChIKey of [5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is OSFVMCCUSVCQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-20-11-3-4-14(21-2)12(9-11)15-10-13(17-23-15)16(19)18-5-7-22-8-6-18/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of [5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 318.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 22427462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).