[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-morpholin-4-ylmethanone

C18H14Cl2N2O3 — CID 50850765

IUPAC[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)N1CCOCC1
InChIInChI=1S/C18H14Cl2N2O3/c19-13-9-14(20)16-15(10-13)21-17(25-16)11-2-1-3-12(8-11)18(23)22-4-6-24-7-5-22/h1-3,8-10H,4-7H2
InChIKeyIFCNQCSWGFXXTB-UHFFFAOYSA-N
MW377.23 g/mol
LogP4.27
Rot. Bonds2

About [3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-morpholin-4-ylmethanone

[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-morpholin-4-ylmethanone (PubChem CID 50850765) has the molecular formula C18H14Cl2N2O3 and a molecular weight of 377.23 g/mol. Its IUPAC name is [3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-morpholin-4-ylmethanone
PubChem CID50850765
Molecular FormulaC18H14Cl2N2O3
Molecular Weight377.23 g/mol
Exact Mass376.04
IUPAC Name[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)N1CCOCC1
InChIInChI=1S/C18H14Cl2N2O3/c19-13-9-14(20)16-15(10-13)21-17(25-16)11-2-1-3-12(8-11)18(23)22-4-6-24-7-5-22/h1-3,8-10H,4-7H2
InChIKeyIFCNQCSWGFXXTB-UHFFFAOYSA-N
XLogP4.27
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-morpholin-4-ylmethanone (CID 50850765) is [3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-morpholin-4-ylmethanone is O=C(c1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)N1CCOCC1.
What is the InChIKey of [3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-morpholin-4-ylmethanone?
The InChIKey is IFCNQCSWGFXXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3/c19-13-9-14(20)16-15(10-13)21-17(25-16)11-2-1-3-12(8-11)18(23)22-4-6-24-7-5-22/h1-3,8-10H,4-7H2.
What are the key properties of [3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-morpholin-4-ylmethanone?
[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-morpholin-4-ylmethanone has a molecular weight of 377.23 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 50850765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).