(4S)-4-phenyl-2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole

C19H18N2O2 — CID 736684

IUPAC(4S)-4-phenyl-2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@H]2COC(CC3=N[C@@H](c4ccccc4)CO3)=N2)cc1
InChIInChI=1S/C19H18N2O2/c1-3-7-14(8-4-1)16-12-22-18(20-16)11-19-21-17(13-23-19)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-,17-/m1/s1
InChIKeyIUFHJPXOLHSJTC-IAGOWNOFSA-N
MW306.37 g/mol
LogP3.72
Rot. Bonds4

About (4S)-4-phenyl-2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole

(4S)-4-phenyl-2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 736684) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (4S)-4-phenyl-2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-phenyl-2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
PubChem CID736684
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name(4S)-4-phenyl-2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@H]2COC(CC3=N[C@@H](c4ccccc4)CO3)=N2)cc1
InChIInChI=1S/C19H18N2O2/c1-3-7-14(8-4-1)16-12-22-18(20-16)11-19-21-17(13-23-19)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-,17-/m1/s1
InChIKeyIUFHJPXOLHSJTC-IAGOWNOFSA-N
XLogP3.72
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyl-2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-phenyl-2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole (CID 736684) is (4S)-4-phenyl-2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-phenyl-2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-phenyl-2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole is c1ccc([C@H]2COC(CC3=N[C@@H](c4ccccc4)CO3)=N2)cc1.
What is the InChIKey of (4S)-4-phenyl-2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is IUFHJPXOLHSJTC-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-3-7-14(8-4-1)16-12-22-18(20-16)11-19-21-17(13-23-19)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-,17-/m1/s1.
What are the key properties of (4S)-4-phenyl-2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-phenyl-2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 306.37 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenyl-2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 736684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).