(5R)-3-[(5-methyl-3-pyridinyl)oxy]-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole

C21H18N2O3 — CID 58126206

IUPAC(5R)-3-[(5-methyl-3-pyridinyl)oxy]-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole
SMILESCc1cncc(OC2=NO[C@@H](c3ccc(Oc4ccccc4)cc3)C2)c1
InChIInChI=1S/C21H18N2O3/c1-15-11-19(14-22-13-15)25-21-12-20(26-23-21)16-7-9-18(10-8-16)24-17-5-3-2-4-6-17/h2-11,13-14,20H,12H2,1H3/t20-/m1/s1
InChIKeyJNBNAUZQZLCHOX-HXUWFJFHSA-N
MW346.39 g/mol
LogP5.04
Rot. Bonds4

About (5R)-3-[(5-methyl-3-pyridinyl)oxy]-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole

(5R)-3-[(5-methyl-3-pyridinyl)oxy]-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 58126206) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is (5R)-3-[(5-methyl-3-pyridinyl)oxy]-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-3-[(5-methyl-3-pyridinyl)oxy]-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole
PubChem CID58126206
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name(5R)-3-[(5-methyl-3-pyridinyl)oxy]-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole
SMILESCc1cncc(OC2=NO[C@@H](c3ccc(Oc4ccccc4)cc3)C2)c1
InChIInChI=1S/C21H18N2O3/c1-15-11-19(14-22-13-15)25-21-12-20(26-23-21)16-7-9-18(10-8-16)24-17-5-3-2-4-6-17/h2-11,13-14,20H,12H2,1H3/t20-/m1/s1
InChIKeyJNBNAUZQZLCHOX-HXUWFJFHSA-N
XLogP5.04
TPSA52.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.39
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(5-methyl-3-pyridinyl)oxy]-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-3-[(5-methyl-3-pyridinyl)oxy]-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole (CID 58126206) is (5R)-3-[(5-methyl-3-pyridinyl)oxy]-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-3-[(5-methyl-3-pyridinyl)oxy]-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-3-[(5-methyl-3-pyridinyl)oxy]-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole is Cc1cncc(OC2=NO[C@@H](c3ccc(Oc4ccccc4)cc3)C2)c1.
What is the InChIKey of (5R)-3-[(5-methyl-3-pyridinyl)oxy]-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is JNBNAUZQZLCHOX-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-15-11-19(14-22-13-15)25-21-12-20(26-23-21)16-7-9-18(10-8-16)24-17-5-3-2-4-6-17/h2-11,13-14,20H,12H2,1H3/t20-/m1/s1.
What are the key properties of (5R)-3-[(5-methyl-3-pyridinyl)oxy]-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole?
(5R)-3-[(5-methyl-3-pyridinyl)oxy]-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 346.39 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(5-methyl-3-pyridinyl)oxy]-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 58126206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).