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

C21H20N2O2 — CID 10496806

IUPAC(4S)-4-phenyl-2-[1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@H]2COC(C3(C4=N[C@@H](c5ccccc5)CO4)CC3)=N2)cc1
InChIInChI=1S/C21H20N2O2/c1-3-7-15(8-4-1)17-13-24-19(22-17)21(11-12-21)20-23-18(14-25-20)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-,18-/m1/s1
InChIKeyABUFHURHLVHRQG-QZTJIDSGSA-N
MW332.40 g/mol
LogP4.11
Rot. Bonds4

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

(4S)-4-phenyl-2-[1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole (PubChem CID 10496806) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is (4S)-4-phenyl-2-[1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-phenyl-2-[1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole
PubChem CID10496806
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name(4S)-4-phenyl-2-[1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@H]2COC(C3(C4=N[C@@H](c5ccccc5)CO4)CC3)=N2)cc1
InChIInChI=1S/C21H20N2O2/c1-3-7-15(8-4-1)17-13-24-19(22-17)21(11-12-21)20-23-18(14-25-20)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-,18-/m1/s1
InChIKeyABUFHURHLVHRQG-QZTJIDSGSA-N
XLogP4.11
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.11
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-[1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-phenyl-2-[1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole (CID 10496806) is (4S)-4-phenyl-2-[1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-phenyl-2-[1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-phenyl-2-[1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole is c1ccc([C@H]2COC(C3(C4=N[C@@H](c5ccccc5)CO4)CC3)=N2)cc1.
What is the InChIKey of (4S)-4-phenyl-2-[1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is ABUFHURHLVHRQG-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-3-7-15(8-4-1)17-13-24-19(22-17)21(11-12-21)20-23-18(14-25-20)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-,18-/m1/s1.
What are the key properties of (4S)-4-phenyl-2-[1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-phenyl-2-[1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 332.40 g/mol, XLogP of 4.11, 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-[1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10496806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).