(4S,5S)-4-(methoxymethyl)-5-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole

C16H16N2O2 — CID 10869276

IUPAC(4S,5S)-4-(methoxymethyl)-5-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole
SMILESCOC[C@@H]1N=C(c2cccnc2)O[C@H]1c1ccccc1
InChIInChI=1S/C16H16N2O2/c1-19-11-14-15(12-6-3-2-4-7-12)20-16(18-14)13-8-5-9-17-10-13/h2-10,14-15H,11H2,1H3/t14-,15-/m0/s1
InChIKeyIHHQMUHWCJPMEW-GJZGRUSLSA-N
MW268.32 g/mol
LogP2.61
Rot. Bonds4

About (4S,5S)-4-(methoxymethyl)-5-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole

(4S,5S)-4-(methoxymethyl)-5-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole (PubChem CID 10869276) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (4S,5S)-4-(methoxymethyl)-5-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S,5S)-4-(methoxymethyl)-5-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole
PubChem CID10869276
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(4S,5S)-4-(methoxymethyl)-5-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole
SMILESCOC[C@@H]1N=C(c2cccnc2)O[C@H]1c1ccccc1
InChIInChI=1S/C16H16N2O2/c1-19-11-14-15(12-6-3-2-4-7-12)20-16(18-14)13-8-5-9-17-10-13/h2-10,14-15H,11H2,1H3/t14-,15-/m0/s1
InChIKeyIHHQMUHWCJPMEW-GJZGRUSLSA-N
XLogP2.61
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(methoxymethyl)-5-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S,5S)-4-(methoxymethyl)-5-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole (CID 10869276) is (4S,5S)-4-(methoxymethyl)-5-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S,5S)-4-(methoxymethyl)-5-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S,5S)-4-(methoxymethyl)-5-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole is COC[C@@H]1N=C(c2cccnc2)O[C@H]1c1ccccc1.
What is the InChIKey of (4S,5S)-4-(methoxymethyl)-5-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is IHHQMUHWCJPMEW-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-19-11-14-15(12-6-3-2-4-7-12)20-16(18-14)13-8-5-9-17-10-13/h2-10,14-15H,11H2,1H3/t14-,15-/m0/s1.
What are the key properties of (4S,5S)-4-(methoxymethyl)-5-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole?
(4S,5S)-4-(methoxymethyl)-5-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 268.32 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(methoxymethyl)-5-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10869276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).