3-[2-[(2R)-2-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one

C19H16Cl2N2O4 — CID 97106602

IUPAC3-[2-[(2R)-2-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
SMILESO=C(Cn1c(=O)oc2ccccc21)N1CCO[C@H](c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C19H16Cl2N2O4/c20-13-7-12(8-14(21)9-13)17-10-22(5-6-26-17)18(24)11-23-15-3-1-2-4-16(15)27-19(23)25/h1-4,7-9,17H,5-6,10-11H2/t17-/m0/s1
InChIKeyHUAMQFFYGCAOOH-KRWDZBQOSA-N
MW407.25 g/mol
LogP3.50
Rot. Bonds3

About 3-[2-[(2R)-2-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one

3-[2-[(2R)-2-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one (PubChem CID 97106602) has the molecular formula C19H16Cl2N2O4 and a molecular weight of 407.25 g/mol. Its IUPAC name is 3-[2-[(2R)-2-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-[(2R)-2-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
PubChem CID97106602
Molecular FormulaC19H16Cl2N2O4
Molecular Weight407.25 g/mol
Exact Mass406.05
IUPAC Name3-[2-[(2R)-2-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
SMILESO=C(Cn1c(=O)oc2ccccc21)N1CCO[C@H](c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C19H16Cl2N2O4/c20-13-7-12(8-14(21)9-13)17-10-22(5-6-26-17)18(24)11-23-15-3-1-2-4-16(15)27-19(23)25/h1-4,7-9,17H,5-6,10-11H2/t17-/m0/s1
InChIKeyHUAMQFFYGCAOOH-KRWDZBQOSA-N
XLogP3.50
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.25
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R)-2-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-[(2R)-2-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one (CID 97106602) is 3-[2-[(2R)-2-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-[(2R)-2-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-[(2R)-2-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one is O=C(Cn1c(=O)oc2ccccc21)N1CCO[C@H](c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of 3-[2-[(2R)-2-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
The InChIKey is HUAMQFFYGCAOOH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H16Cl2N2O4/c20-13-7-12(8-14(21)9-13)17-10-22(5-6-26-17)18(24)11-23-15-3-1-2-4-16(15)27-19(23)25/h1-4,7-9,17H,5-6,10-11H2/t17-/m0/s1.
What are the key properties of 3-[2-[(2R)-2-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
3-[2-[(2R)-2-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one has a molecular weight of 407.25 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2R)-2-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 97106602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).