2-(1-ethylindol-3-yl)-4-phenyl-4,5-dihydro-1,3-oxazole

C19H18N2O — CID 3545528

IUPAC2-(1-ethylindol-3-yl)-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESCCn1cc(C2=NC(c3ccccc3)CO2)c2ccccc21
InChIInChI=1S/C19H18N2O/c1-2-21-12-16(15-10-6-7-11-18(15)21)19-20-17(13-22-19)14-8-4-3-5-9-14/h3-12,17H,2,13H2,1H3
InChIKeyDMNNCTYBAVBERL-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.18
Rot. Bonds3

About 2-(1-ethylindol-3-yl)-4-phenyl-4,5-dihydro-1,3-oxazole

2-(1-ethylindol-3-yl)-4-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 3545528) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(1-ethylindol-3-yl)-4-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(1-ethylindol-3-yl)-4-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID3545528
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name2-(1-ethylindol-3-yl)-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESCCn1cc(C2=NC(c3ccccc3)CO2)c2ccccc21
InChIInChI=1S/C19H18N2O/c1-2-21-12-16(15-10-6-7-11-18(15)21)19-20-17(13-22-19)14-8-4-3-5-9-14/h3-12,17H,2,13H2,1H3
InChIKeyDMNNCTYBAVBERL-UHFFFAOYSA-N
XLogP4.18
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylindol-3-yl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(1-ethylindol-3-yl)-4-phenyl-4,5-dihydro-1,3-oxazole (CID 3545528) is 2-(1-ethylindol-3-yl)-4-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(1-ethylindol-3-yl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(1-ethylindol-3-yl)-4-phenyl-4,5-dihydro-1,3-oxazole is CCn1cc(C2=NC(c3ccccc3)CO2)c2ccccc21.
What is the InChIKey of 2-(1-ethylindol-3-yl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is DMNNCTYBAVBERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-2-21-12-16(15-10-6-7-11-18(15)21)19-20-17(13-22-19)14-8-4-3-5-9-14/h3-12,17H,2,13H2,1H3.
What are the key properties of 2-(1-ethylindol-3-yl)-4-phenyl-4,5-dihydro-1,3-oxazole?
2-(1-ethylindol-3-yl)-4-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 290.37 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylindol-3-yl)-4-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 3545528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).