5-methyl-3-[2-[4-(phenylmethoxymethyl)phenyl]phenyl]-2,5-dihydro-1,2-oxazole

C24H23NO2 — CID 150453697

IUPAC5-methyl-3-[2-[4-(phenylmethoxymethyl)phenyl]phenyl]-2,5-dihydro-1,2-oxazole
SMILESCC1C=C(c2ccccc2-c2ccc(COCc3ccccc3)cc2)NO1
InChIInChI=1S/C24H23NO2/c1-18-15-24(25-27-18)23-10-6-5-9-22(23)21-13-11-20(12-14-21)17-26-16-19-7-3-2-4-8-19/h2-15,18,25H,16-17H2,1H3
InChIKeyHOINOAVAHHSVEV-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.33
Rot. Bonds6

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

5-methyl-3-[2-[4-(phenylmethoxymethyl)phenyl]phenyl]-2,5-dihydro-1,2-oxazole (PubChem CID 150453697) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is 5-methyl-3-[2-[4-(phenylmethoxymethyl)phenyl]phenyl]-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[2-[4-(phenylmethoxymethyl)phenyl]phenyl]-2,5-dihydro-1,2-oxazole
PubChem CID150453697
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name5-methyl-3-[2-[4-(phenylmethoxymethyl)phenyl]phenyl]-2,5-dihydro-1,2-oxazole
SMILESCC1C=C(c2ccccc2-c2ccc(COCc3ccccc3)cc2)NO1
InChIInChI=1S/C24H23NO2/c1-18-15-24(25-27-18)23-10-6-5-9-22(23)21-13-11-20(12-14-21)17-26-16-19-7-3-2-4-8-19/h2-15,18,25H,16-17H2,1H3
InChIKeyHOINOAVAHHSVEV-UHFFFAOYSA-N
XLogP5.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-[4-(phenylmethoxymethyl)phenyl]phenyl]-2,5-dihydro-1,2-oxazole?
The IUPAC name of 5-methyl-3-[2-[4-(phenylmethoxymethyl)phenyl]phenyl]-2,5-dihydro-1,2-oxazole (CID 150453697) is 5-methyl-3-[2-[4-(phenylmethoxymethyl)phenyl]phenyl]-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[2-[4-(phenylmethoxymethyl)phenyl]phenyl]-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[2-[4-(phenylmethoxymethyl)phenyl]phenyl]-2,5-dihydro-1,2-oxazole is CC1C=C(c2ccccc2-c2ccc(COCc3ccccc3)cc2)NO1.
What is the InChIKey of 5-methyl-3-[2-[4-(phenylmethoxymethyl)phenyl]phenyl]-2,5-dihydro-1,2-oxazole?
The InChIKey is HOINOAVAHHSVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-18-15-24(25-27-18)23-10-6-5-9-22(23)21-13-11-20(12-14-21)17-26-16-19-7-3-2-4-8-19/h2-15,18,25H,16-17H2,1H3.
What are the key properties of 5-methyl-3-[2-[4-(phenylmethoxymethyl)phenyl]phenyl]-2,5-dihydro-1,2-oxazole?
5-methyl-3-[2-[4-(phenylmethoxymethyl)phenyl]phenyl]-2,5-dihydro-1,2-oxazole has a molecular weight of 357.45 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-[4-(phenylmethoxymethyl)phenyl]phenyl]-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 150453697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).