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

C16H20N2O — CID 3545526

IUPAC2-(1-ethylindol-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCCn1cc(C2=NC(C(C)C)CO2)c2ccccc21
InChIInChI=1S/C16H20N2O/c1-4-18-9-13(12-7-5-6-8-15(12)18)16-17-14(10-19-16)11(2)3/h5-9,11,14H,4,10H2,1-3H3
InChIKeyBVRXMOFXDTXBLS-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.46
Rot. Bonds3

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

2-(1-ethylindol-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 3545526) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(1-ethylindol-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(1-ethylindol-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID3545526
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(1-ethylindol-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCCn1cc(C2=NC(C(C)C)CO2)c2ccccc21
InChIInChI=1S/C16H20N2O/c1-4-18-9-13(12-7-5-6-8-15(12)18)16-17-14(10-19-16)11(2)3/h5-9,11,14H,4,10H2,1-3H3
InChIKeyBVRXMOFXDTXBLS-UHFFFAOYSA-N
XLogP3.46
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.46
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-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(1-ethylindol-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 3545526) is 2-(1-ethylindol-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(1-ethylindol-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(1-ethylindol-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole is CCn1cc(C2=NC(C(C)C)CO2)c2ccccc21.
What is the InChIKey of 2-(1-ethylindol-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is BVRXMOFXDTXBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-4-18-9-13(12-7-5-6-8-15(12)18)16-17-14(10-19-16)11(2)3/h5-9,11,14H,4,10H2,1-3H3.
What are the key properties of 2-(1-ethylindol-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
2-(1-ethylindol-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 256.35 g/mol, XLogP of 3.46, 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-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 3545526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).