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

C23H24N2O2 — CID 24746419

IUPAC(4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C[C@H]2COC(C3(C4=N[C@@H](Cc5ccccc5)CO4)CC3)=N2)cc1
InChIInChI=1S/C23H24N2O2/c1-3-7-17(8-4-1)13-19-15-26-21(24-19)23(11-12-23)22-25-20(16-27-22)14-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2/t19-,20-/m0/s1
InChIKeyUWAPKSLVKVQVBT-PMACEKPBSA-N
MW360.46 g/mol
LogP3.85
Rot. Bonds6

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

(4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole (PubChem CID 24746419) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is (4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole
PubChem CID24746419
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name(4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C[C@H]2COC(C3(C4=N[C@@H](Cc5ccccc5)CO4)CC3)=N2)cc1
InChIInChI=1S/C23H24N2O2/c1-3-7-17(8-4-1)13-19-15-26-21(24-19)23(11-12-23)22-25-20(16-27-22)14-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2/t19-,20-/m0/s1
InChIKeyUWAPKSLVKVQVBT-PMACEKPBSA-N
XLogP3.85
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole (CID 24746419) is (4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole is c1ccc(C[C@H]2COC(C3(C4=N[C@@H](Cc5ccccc5)CO4)CC3)=N2)cc1.
What is the InChIKey of (4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is UWAPKSLVKVQVBT-PMACEKPBSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-3-7-17(8-4-1)13-19-15-26-21(24-19)23(11-12-23)22-25-20(16-27-22)14-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2/t19-,20-/m0/s1.
What are the key properties of (4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 360.46 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-2-[1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 24746419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).