2-[2-(1-benzyl-2,3-dihydroindol-7-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole

C26H26N2O — CID 10619927

IUPAC2-[2-(1-benzyl-2,3-dihydroindol-7-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccccc2-c2cccc3c2N(Cc2ccccc2)CC3)=N1
InChIInChI=1S/C26H26N2O/c1-26(2)18-29-25(27-26)23-13-7-6-12-21(23)22-14-8-11-20-15-16-28(24(20)22)17-19-9-4-3-5-10-19/h3-14H,15-18H2,1-2H3
InChIKeyLXGHUADMVVRFTP-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.47
Rot. Bonds4

About 2-[2-(1-benzyl-2,3-dihydroindol-7-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole

2-[2-(1-benzyl-2,3-dihydroindol-7-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 10619927) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[2-(1-benzyl-2,3-dihydroindol-7-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(1-benzyl-2,3-dihydroindol-7-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID10619927
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name2-[2-(1-benzyl-2,3-dihydroindol-7-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccccc2-c2cccc3c2N(Cc2ccccc2)CC3)=N1
InChIInChI=1S/C26H26N2O/c1-26(2)18-29-25(27-26)23-13-7-6-12-21(23)22-14-8-11-20-15-16-28(24(20)22)17-19-9-4-3-5-10-19/h3-14H,15-18H2,1-2H3
InChIKeyLXGHUADMVVRFTP-UHFFFAOYSA-N
XLogP5.47
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 12701146
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CID 57902674
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CID 138718198
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CID 177916733
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CID 178454964
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CID 10500955
CID 10500955
CID 10646390
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CID 10835505
CID 10835505

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzyl-2,3-dihydroindol-7-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[2-(1-benzyl-2,3-dihydroindol-7-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 10619927) is 2-[2-(1-benzyl-2,3-dihydroindol-7-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[2-(1-benzyl-2,3-dihydroindol-7-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[2-(1-benzyl-2,3-dihydroindol-7-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2ccccc2-c2cccc3c2N(Cc2ccccc2)CC3)=N1.
What is the InChIKey of 2-[2-(1-benzyl-2,3-dihydroindol-7-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is LXGHUADMVVRFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O/c1-26(2)18-29-25(27-26)23-13-7-6-12-21(23)22-14-8-11-20-15-16-28(24(20)22)17-19-9-4-3-5-10-19/h3-14H,15-18H2,1-2H3.
What are the key properties of 2-[2-(1-benzyl-2,3-dihydroindol-7-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[2-(1-benzyl-2,3-dihydroindol-7-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 382.51 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzyl-2,3-dihydroindol-7-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 10619927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).