[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(4-phenoxy-2-pyridinyl)methanone

C18H16N4O4 — CID 97341023

IUPAC[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(4-phenoxy-2-pyridinyl)methanone
SMILESO=C(c1cc(Oc2ccccc2)ccn1)N1CCOC[C@H]1c1ncon1
InChIInChI=1S/C18H16N4O4/c23-18(22-8-9-24-11-16(22)17-20-12-25-21-17)15-10-14(6-7-19-15)26-13-4-2-1-3-5-13/h1-7,10,12,16H,8-9,11H2/t16-/m0/s1
InChIKeyQOGFVLQHYAUDEE-INIZCTEOSA-N
MW352.35 g/mol
LogP2.47
Rot. Bonds4

About [(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(4-phenoxy-2-pyridinyl)methanone

[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(4-phenoxy-2-pyridinyl)methanone (PubChem CID 97341023) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is [(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(4-phenoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(4-phenoxy-2-pyridinyl)methanone
PubChem CID97341023
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Name[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(4-phenoxy-2-pyridinyl)methanone
SMILESO=C(c1cc(Oc2ccccc2)ccn1)N1CCOC[C@H]1c1ncon1
InChIInChI=1S/C18H16N4O4/c23-18(22-8-9-24-11-16(22)17-20-12-25-21-17)15-10-14(6-7-19-15)26-13-4-2-1-3-5-13/h1-7,10,12,16H,8-9,11H2/t16-/m0/s1
InChIKeyQOGFVLQHYAUDEE-INIZCTEOSA-N
XLogP2.47
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(4-phenoxy-2-pyridinyl)methanone?
The IUPAC name of [(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(4-phenoxy-2-pyridinyl)methanone (CID 97341023) is [(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(4-phenoxy-2-pyridinyl)methanone.
What is the SMILES notation for [(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(4-phenoxy-2-pyridinyl)methanone?
The canonical SMILES for [(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(4-phenoxy-2-pyridinyl)methanone is O=C(c1cc(Oc2ccccc2)ccn1)N1CCOC[C@H]1c1ncon1.
What is the InChIKey of [(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(4-phenoxy-2-pyridinyl)methanone?
The InChIKey is QOGFVLQHYAUDEE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16N4O4/c23-18(22-8-9-24-11-16(22)17-20-12-25-21-17)15-10-14(6-7-19-15)26-13-4-2-1-3-5-13/h1-7,10,12,16H,8-9,11H2/t16-/m0/s1.
What are the key properties of [(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(4-phenoxy-2-pyridinyl)methanone?
[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(4-phenoxy-2-pyridinyl)methanone has a molecular weight of 352.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(4-phenoxy-2-pyridinyl)methanone is sourced from PubChem (CID 97341023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).