(3R,4R)-3-phenoxy-4-phenyl-1-pyridin-4-ylazetidin-2-one

C20H16N2O2 — CID 44825475

IUPAC(3R,4R)-3-phenoxy-4-phenyl-1-pyridin-4-ylazetidin-2-one
SMILESO=C1[C@H](Oc2ccccc2)[C@@H](c2ccccc2)N1c1ccncc1
InChIInChI=1S/C20H16N2O2/c23-20-19(24-17-9-5-2-6-10-17)18(15-7-3-1-4-8-15)22(20)16-11-13-21-14-12-16/h1-14,18-19H/t18-,19-/m1/s1
InChIKeyDJMXWVHKOQMOLX-RTBURBONSA-N
MW316.36 g/mol
LogP3.62
Rot. Bonds4

About (3R,4R)-3-phenoxy-4-phenyl-1-pyridin-4-ylazetidin-2-one

(3R,4R)-3-phenoxy-4-phenyl-1-pyridin-4-ylazetidin-2-one (PubChem CID 44825475) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is (3R,4R)-3-phenoxy-4-phenyl-1-pyridin-4-ylazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-phenoxy-4-phenyl-1-pyridin-4-ylazetidin-2-one
PubChem CID44825475
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name(3R,4R)-3-phenoxy-4-phenyl-1-pyridin-4-ylazetidin-2-one
SMILESO=C1[C@H](Oc2ccccc2)[C@@H](c2ccccc2)N1c1ccncc1
InChIInChI=1S/C20H16N2O2/c23-20-19(24-17-9-5-2-6-10-17)18(15-7-3-1-4-8-15)22(20)16-11-13-21-14-12-16/h1-14,18-19H/t18-,19-/m1/s1
InChIKeyDJMXWVHKOQMOLX-RTBURBONSA-N
XLogP3.62
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-phenoxy-4-phenyl-1-pyridin-4-ylazetidin-2-one?
The IUPAC name of (3R,4R)-3-phenoxy-4-phenyl-1-pyridin-4-ylazetidin-2-one (CID 44825475) is (3R,4R)-3-phenoxy-4-phenyl-1-pyridin-4-ylazetidin-2-one.
What is the SMILES notation for (3R,4R)-3-phenoxy-4-phenyl-1-pyridin-4-ylazetidin-2-one?
The canonical SMILES for (3R,4R)-3-phenoxy-4-phenyl-1-pyridin-4-ylazetidin-2-one is O=C1[C@H](Oc2ccccc2)[C@@H](c2ccccc2)N1c1ccncc1.
What is the InChIKey of (3R,4R)-3-phenoxy-4-phenyl-1-pyridin-4-ylazetidin-2-one?
The InChIKey is DJMXWVHKOQMOLX-RTBURBONSA-N. The full InChI is InChI=1S/C20H16N2O2/c23-20-19(24-17-9-5-2-6-10-17)18(15-7-3-1-4-8-15)22(20)16-11-13-21-14-12-16/h1-14,18-19H/t18-,19-/m1/s1.
What are the key properties of (3R,4R)-3-phenoxy-4-phenyl-1-pyridin-4-ylazetidin-2-one?
(3R,4R)-3-phenoxy-4-phenyl-1-pyridin-4-ylazetidin-2-one has a molecular weight of 316.36 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-phenoxy-4-phenyl-1-pyridin-4-ylazetidin-2-one is sourced from PubChem (CID 44825475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).