1-methyl-3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)indol-2-ol

C22H18N2O2 — CID 135697474

IUPAC1-methyl-3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)indol-2-ol
SMILESCn1c(O)c(C2=NCC(c3cccc4ccccc34)O2)c2ccccc21
InChIInChI=1S/C22H18N2O2/c1-24-18-12-5-4-10-17(18)20(22(24)25)21-23-13-19(26-21)16-11-6-8-14-7-2-3-9-15(14)16/h2-12,19,25H,13H2,1H3
InChIKeyOPXBYZRKPDLCOW-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.56
Rot. Bonds2

About 1-methyl-3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)indol-2-ol

1-methyl-3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)indol-2-ol (PubChem CID 135697474) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-methyl-3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)indol-2-ol.

Molecular Properties

Compound Name1-methyl-3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)indol-2-ol
PubChem CID135697474
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name1-methyl-3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)indol-2-ol
SMILESCn1c(O)c(C2=NCC(c3cccc4ccccc34)O2)c2ccccc21
InChIInChI=1S/C22H18N2O2/c1-24-18-12-5-4-10-17(18)20(22(24)25)21-23-13-19(26-21)16-11-6-8-14-7-2-3-9-15(14)16/h2-12,19,25H,13H2,1H3
InChIKeyOPXBYZRKPDLCOW-UHFFFAOYSA-N
XLogP4.56
TPSA46.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)indol-2-ol?
The IUPAC name of 1-methyl-3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)indol-2-ol (CID 135697474) is 1-methyl-3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)indol-2-ol.
What is the SMILES notation for 1-methyl-3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)indol-2-ol?
The canonical SMILES for 1-methyl-3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)indol-2-ol is Cn1c(O)c(C2=NCC(c3cccc4ccccc34)O2)c2ccccc21.
What is the InChIKey of 1-methyl-3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)indol-2-ol?
The InChIKey is OPXBYZRKPDLCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-24-18-12-5-4-10-17(18)20(22(24)25)21-23-13-19(26-21)16-11-6-8-14-7-2-3-9-15(14)16/h2-12,19,25H,13H2,1H3.
What are the key properties of 1-methyl-3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)indol-2-ol?
1-methyl-3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)indol-2-ol has a molecular weight of 342.40 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)indol-2-ol is sourced from PubChem (CID 135697474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).