3-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-1-methylindol-2-ol

C18H14Cl2N2O2 — CID 135697471

IUPAC3-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-1-methylindol-2-ol
SMILESCn1c(O)c(C2=NCC(c3c(Cl)cccc3Cl)O2)c2ccccc21
InChIInChI=1S/C18H14Cl2N2O2/c1-22-13-8-3-2-5-10(13)15(18(22)23)17-21-9-14(24-17)16-11(19)6-4-7-12(16)20/h2-8,14,23H,9H2,1H3
InChIKeyWIEUIMTWAKEPNS-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.71
Rot. Bonds2

About 3-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-1-methylindol-2-ol

3-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-1-methylindol-2-ol (PubChem CID 135697471) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is 3-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-1-methylindol-2-ol.

Molecular Properties

Compound Name3-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-1-methylindol-2-ol
PubChem CID135697471
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Name3-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-1-methylindol-2-ol
SMILESCn1c(O)c(C2=NCC(c3c(Cl)cccc3Cl)O2)c2ccccc21
InChIInChI=1S/C18H14Cl2N2O2/c1-22-13-8-3-2-5-10(13)15(18(22)23)17-21-9-14(24-17)16-11(19)6-4-7-12(16)20/h2-8,14,23H,9H2,1H3
InChIKeyWIEUIMTWAKEPNS-UHFFFAOYSA-N
XLogP4.71
TPSA46.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-1-methylindol-2-ol?
The IUPAC name of 3-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-1-methylindol-2-ol (CID 135697471) is 3-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-1-methylindol-2-ol.
What is the SMILES notation for 3-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-1-methylindol-2-ol?
The canonical SMILES for 3-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-1-methylindol-2-ol is Cn1c(O)c(C2=NCC(c3c(Cl)cccc3Cl)O2)c2ccccc21.
What is the InChIKey of 3-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-1-methylindol-2-ol?
The InChIKey is WIEUIMTWAKEPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c1-22-13-8-3-2-5-10(13)15(18(22)23)17-21-9-14(24-17)16-11(19)6-4-7-12(16)20/h2-8,14,23H,9H2,1H3.
What are the key properties of 3-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-1-methylindol-2-ol?
3-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-1-methylindol-2-ol has a molecular weight of 361.23 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]-1-methylindol-2-ol is sourced from PubChem (CID 135697471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).