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

C18H16N2O2 — CID 15936784

IUPAC(4S)-4-phenyl-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@H]2COC(C3=N[C@@H](c4ccccc4)CO3)=N2)cc1
InChIInChI=1S/C18H16N2O2/c1-3-7-13(8-4-1)15-11-21-17(19-15)18-20-16(12-22-18)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2/t15-,16-/m1/s1
InChIKeyUPTBXQCXFVAYOL-HZPDHXFCSA-N
MW292.34 g/mol
LogP3.33
Rot. Bonds3

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

(4S)-4-phenyl-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 15936784) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is (4S)-4-phenyl-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-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]-4,5-dihydro-1,3-oxazole
PubChem CID15936784
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name(4S)-4-phenyl-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@H]2COC(C3=N[C@@H](c4ccccc4)CO3)=N2)cc1
InChIInChI=1S/C18H16N2O2/c1-3-7-13(8-4-1)15-11-21-17(19-15)18-20-16(12-22-18)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2/t15-,16-/m1/s1
InChIKeyUPTBXQCXFVAYOL-HZPDHXFCSA-N
XLogP3.33
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.33
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]-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]-4,5-dihydro-1,3-oxazole (CID 15936784) is (4S)-4-phenyl-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-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]-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]-4,5-dihydro-1,3-oxazole is c1ccc([C@H]2COC(C3=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]-4,5-dihydro-1,3-oxazole?
The InChIKey is UPTBXQCXFVAYOL-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-3-7-13(8-4-1)15-11-21-17(19-15)18-20-16(12-22-18)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2/t15-,16-/m1/s1.
What are the key properties of (4S)-4-phenyl-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole?
(4S)-4-phenyl-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 292.34 g/mol, XLogP of 3.33, 3 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]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15936784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).