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

C14H12Cl2N2O3 — CID 1093832

IUPAC[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2ccc(Cl)cc2Cl)on1)N1CCOCC1
InChIInChI=1S/C14H12Cl2N2O3/c15-9-1-2-10(11(16)7-9)13-8-12(17-21-13)14(19)18-3-5-20-6-4-18/h1-2,7-8H,3-6H2
InChIKeyJQHSWMRGAUNNPC-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.12
Rot. Bonds2

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

[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 1093832) has the molecular formula C14H12Cl2N2O3 and a molecular weight of 327.17 g/mol. Its IUPAC name is [5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
PubChem CID1093832
Molecular FormulaC14H12Cl2N2O3
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2ccc(Cl)cc2Cl)on1)N1CCOCC1
InChIInChI=1S/C14H12Cl2N2O3/c15-9-1-2-10(11(16)7-9)13-8-12(17-21-13)14(19)18-3-5-20-6-4-18/h1-2,7-8H,3-6H2
InChIKeyJQHSWMRGAUNNPC-UHFFFAOYSA-N
XLogP3.12
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (CID 1093832) is [5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone is O=C(c1cc(-c2ccc(Cl)cc2Cl)on1)N1CCOCC1.
What is the InChIKey of [5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is JQHSWMRGAUNNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3/c15-9-1-2-10(11(16)7-9)13-8-12(17-21-13)14(19)18-3-5-20-6-4-18/h1-2,7-8H,3-6H2.
What are the key properties of [5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 327.17 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1093832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).