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

C16H18N2O5 — CID 3235804

IUPAC[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCOCC3)no2)cc1OC
InChIInChI=1S/C16H18N2O5/c1-20-13-4-3-11(9-15(13)21-2)14-10-12(17-23-14)16(19)18-5-7-22-8-6-18/h3-4,9-10H,5-8H2,1-2H3
InChIKeyDWVQCYHUMQSHBU-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.83
Rot. Bonds4

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

[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 3235804) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
PubChem CID3235804
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCOCC3)no2)cc1OC
InChIInChI=1S/C16H18N2O5/c1-20-13-4-3-11(9-15(13)21-2)14-10-12(17-23-14)16(19)18-5-7-22-8-6-18/h3-4,9-10H,5-8H2,1-2H3
InChIKeyDWVQCYHUMQSHBU-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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Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (CID 3235804) is [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone is COc1ccc(-c2cc(C(=O)N3CCOCC3)no2)cc1OC.
What is the InChIKey of [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is DWVQCYHUMQSHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-20-13-4-3-11(9-15(13)21-2)14-10-12(17-23-14)16(19)18-5-7-22-8-6-18/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
[5-(3,4-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-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 3235804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).