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

C23H26N2O2 — CID 4660577

IUPAC4-benzyl-2-[2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C1=NC(Cc2ccccc2)CO1)C1=NC(Cc2ccccc2)CO1
InChIInChI=1S/C23H26N2O2/c1-23(2,21-24-19(15-26-21)13-17-9-5-3-6-10-17)22-25-20(16-27-22)14-18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3
InChIKeyGAKCKAKYRQUVRK-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.09
Rot. Bonds6

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

4-benzyl-2-[2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 4660577) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-benzyl-2-[2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-benzyl-2-[2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID4660577
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name4-benzyl-2-[2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C1=NC(Cc2ccccc2)CO1)C1=NC(Cc2ccccc2)CO1
InChIInChI=1S/C23H26N2O2/c1-23(2,21-24-19(15-26-21)13-17-9-5-3-6-10-17)22-25-20(16-27-22)14-18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3
InChIKeyGAKCKAKYRQUVRK-UHFFFAOYSA-N
XLogP4.09
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-benzyl-2-[2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole (CID 4660577) is 4-benzyl-2-[2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-benzyl-2-[2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-benzyl-2-[2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole is CC(C)(C1=NC(Cc2ccccc2)CO1)C1=NC(Cc2ccccc2)CO1.
What is the InChIKey of 4-benzyl-2-[2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is GAKCKAKYRQUVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-23(2,21-24-19(15-26-21)13-17-9-5-3-6-10-17)22-25-20(16-27-22)14-18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3.
What are the key properties of 4-benzyl-2-[2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole?
4-benzyl-2-[2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 362.47 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 4660577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).