(2R)-2-methoxy-2-phenyl-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone

C21H20N2O3 — CID 29022575

IUPAC(2R)-2-methoxy-2-phenyl-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone
SMILESCO[C@@H](C(=O)N1CCc2onc(-c3ccccc3)c2C1)c1ccccc1
InChIInChI=1S/C21H20N2O3/c1-25-20(16-10-6-3-7-11-16)21(24)23-13-12-18-17(14-23)19(22-26-18)15-8-4-2-5-9-15/h2-11,20H,12-14H2,1H3/t20-/m1/s1
InChIKeyBHZZBAYLLNWCJQ-HXUWFJFHSA-N
MW348.40 g/mol
LogP3.61
Rot. Bonds4

About (2R)-2-methoxy-2-phenyl-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone

(2R)-2-methoxy-2-phenyl-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone (PubChem CID 29022575) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is (2R)-2-methoxy-2-phenyl-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name(2R)-2-methoxy-2-phenyl-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone
PubChem CID29022575
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name(2R)-2-methoxy-2-phenyl-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone
SMILESCO[C@@H](C(=O)N1CCc2onc(-c3ccccc3)c2C1)c1ccccc1
InChIInChI=1S/C21H20N2O3/c1-25-20(16-10-6-3-7-11-16)21(24)23-13-12-18-17(14-23)19(22-26-18)15-8-4-2-5-9-15/h2-11,20H,12-14H2,1H3/t20-/m1/s1
InChIKeyBHZZBAYLLNWCJQ-HXUWFJFHSA-N
XLogP3.61
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-2-phenyl-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone?
The IUPAC name of (2R)-2-methoxy-2-phenyl-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone (CID 29022575) is (2R)-2-methoxy-2-phenyl-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone.
What is the SMILES notation for (2R)-2-methoxy-2-phenyl-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone?
The canonical SMILES for (2R)-2-methoxy-2-phenyl-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone is CO[C@@H](C(=O)N1CCc2onc(-c3ccccc3)c2C1)c1ccccc1.
What is the InChIKey of (2R)-2-methoxy-2-phenyl-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone?
The InChIKey is BHZZBAYLLNWCJQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-25-20(16-10-6-3-7-11-16)21(24)23-13-12-18-17(14-23)19(22-26-18)15-8-4-2-5-9-15/h2-11,20H,12-14H2,1H3/t20-/m1/s1.
What are the key properties of (2R)-2-methoxy-2-phenyl-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone?
(2R)-2-methoxy-2-phenyl-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone has a molecular weight of 348.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-2-phenyl-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 29022575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).