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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Related Compounds

3-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-1-methylindol-2-ol
CID 135697471
3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)-1-benzofuran-2-ol
CID 135697466
(2S,4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-ol
CID 134948340
N-(4-methyl-2,3-dihydrocyclopenta[b]indol-1-ylidene)hydroxylamine
CID 603347
5-naphthalen-1-yl-1,3-oxazolidin-2-one
CID 13152451
3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-1-methylindol-2-ol
CID 137274032
2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 114709441
(4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 104945921
(4R)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 104946162
1-methyl-3-[(4-methylquinolin-2-yl)diazenyl]indol-2-ol
CID 135982575
(3-methyl-5-naphthalen-1-yl-1,3-oxazolidin-2-ylidene)cyanamide
CID 14984019
5-methyl-6-[(5-methyl-6H-indeno[2,3-b]indol-6-yl)methyl]-6H-indeno[2,1-b]indole
CID 18424916

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).