3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-morpholin-4-ylpropan-1-one

C16H17ClN2O3 — CID 29418763

IUPAC3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCOCC1
InChIInChI=1S/C16H17ClN2O3/c17-13-3-1-12(2-4-13)14-11-18-15(22-14)5-6-16(20)19-7-9-21-10-8-19/h1-4,11H,5-10H2
InChIKeyBTFGWKAWEUUJMI-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.79
Rot. Bonds4

About 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-morpholin-4-ylpropan-1-one

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 29418763) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID29418763
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCOCC1
InChIInChI=1S/C16H17ClN2O3/c17-13-3-1-12(2-4-13)14-11-18-15(22-14)5-6-16(20)19-7-9-21-10-8-19/h1-4,11H,5-10H2
InChIKeyBTFGWKAWEUUJMI-UHFFFAOYSA-N
XLogP2.79
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-morpholin-4-ylpropan-1-one (CID 29418763) is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-morpholin-4-ylpropan-1-one is O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCOCC1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is BTFGWKAWEUUJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c17-13-3-1-12(2-4-13)14-11-18-15(22-14)5-6-16(20)19-7-9-21-10-8-19/h1-4,11H,5-10H2.
What are the key properties of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-morpholin-4-ylpropan-1-one?
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 320.78 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 29418763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).