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

C16H20N2O5 — CID 20869160

IUPAC[3-(2,3-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
SMILESCOc1cccc(C2=NOC(C(=O)N3CCOCC3)C2)c1OC
InChIInChI=1S/C16H20N2O5/c1-20-13-5-3-4-11(15(13)21-2)12-10-14(23-17-12)16(19)18-6-8-22-9-7-18/h3-5,14H,6-10H2,1-2H3
InChIKeySYIPMAPWXNBXHM-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.06
Rot. Bonds4

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

[3-(2,3-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 20869160) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is [3-(2,3-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(2,3-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
PubChem CID20869160
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name[3-(2,3-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
SMILESCOc1cccc(C2=NOC(C(=O)N3CCOCC3)C2)c1OC
InChIInChI=1S/C16H20N2O5/c1-20-13-5-3-4-11(15(13)21-2)12-10-14(23-17-12)16(19)18-6-8-22-9-7-18/h3-5,14H,6-10H2,1-2H3
InChIKeySYIPMAPWXNBXHM-UHFFFAOYSA-N
XLogP1.06
TPSA69.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(2,3-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone (CID 20869160) is [3-(2,3-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(2,3-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(2,3-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone is COc1cccc(C2=NOC(C(=O)N3CCOCC3)C2)c1OC.
What is the InChIKey of [3-(2,3-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is SYIPMAPWXNBXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-20-13-5-3-4-11(15(13)21-2)12-10-14(23-17-12)16(19)18-6-8-22-9-7-18/h3-5,14H,6-10H2,1-2H3.
What are the key properties of [3-(2,3-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
[3-(2,3-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 320.35 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 20869160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).