2-(1H-indol-2-yl)-4,5-dihydro-1,3-oxazole

C11H10N2O — CID 18960378

IUPAC2-(1H-indol-2-yl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc2[nH]c(C3=NCCO3)cc2c1
InChIInChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(13-9)11-12-5-6-14-11/h1-4,7,13H,5-6H2
InChIKeyGUERYHMGHZCSCB-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.94
Rot. Bonds1

About 2-(1H-indol-2-yl)-4,5-dihydro-1,3-oxazole

2-(1H-indol-2-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 18960378) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(1H-indol-2-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(1H-indol-2-yl)-4,5-dihydro-1,3-oxazole
PubChem CID18960378
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name2-(1H-indol-2-yl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc2[nH]c(C3=NCCO3)cc2c1
InChIInChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(13-9)11-12-5-6-14-11/h1-4,7,13H,5-6H2
InChIKeyGUERYHMGHZCSCB-UHFFFAOYSA-N
XLogP1.94
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-2-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(1H-indol-2-yl)-4,5-dihydro-1,3-oxazole (CID 18960378) is 2-(1H-indol-2-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(1H-indol-2-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(1H-indol-2-yl)-4,5-dihydro-1,3-oxazole is c1ccc2[nH]c(C3=NCCO3)cc2c1.
What is the InChIKey of 2-(1H-indol-2-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is GUERYHMGHZCSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(13-9)11-12-5-6-14-11/h1-4,7,13H,5-6H2.
What are the key properties of 2-(1H-indol-2-yl)-4,5-dihydro-1,3-oxazole?
2-(1H-indol-2-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 186.21 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-2-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 18960378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).