[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone

C15H14Cl2N2O3 — CID 717960

IUPAC[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCOCC1
InChIInChI=1S/C15H14Cl2N2O3/c1-9-12(15(20)19-5-7-21-8-6-19)14(18-22-9)13-10(16)3-2-4-11(13)17/h2-4H,5-8H2,1H3
InChIKeyZRMPONIJCYNUHM-UHFFFAOYSA-N
MW341.19 g/mol
LogP3.43
Rot. Bonds2

About [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone

[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 717960) has the molecular formula C15H14Cl2N2O3 and a molecular weight of 341.19 g/mol. Its IUPAC name is [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone
PubChem CID717960
Molecular FormulaC15H14Cl2N2O3
Molecular Weight341.19 g/mol
Exact Mass340.04
IUPAC Name[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCOCC1
InChIInChI=1S/C15H14Cl2N2O3/c1-9-12(15(20)19-5-7-21-8-6-19)14(18-22-9)13-10(16)3-2-4-11(13)17/h2-4H,5-8H2,1H3
InChIKeyZRMPONIJCYNUHM-UHFFFAOYSA-N
XLogP3.43
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone (CID 717960) is [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone is Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCOCC1.
What is the InChIKey of [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is ZRMPONIJCYNUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3/c1-9-12(15(20)19-5-7-21-8-6-19)14(18-22-9)13-10(16)3-2-4-11(13)17/h2-4H,5-8H2,1H3.
What are the key properties of [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone?
[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 341.19 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 717960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).