1H-indole;1,3-oxazole

C11H10N2O — CID 70038925

IUPAC1H-indole;1,3-oxazole
SMILESc1ccc2[nH]ccc2c1.c1cocn1
InChIInChI=1S/C8H7N.C3H3NO/c1-2-4-8-7(3-1)5-6-9-8;1-2-5-3-4-1/h1-6,9H;1-3H
InChIKeyBAFYQTLKMCGTPW-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.84
Rot. Bonds

About 1H-indole;1,3-oxazole

1H-indole;1,3-oxazole (PubChem CID 70038925) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 1H-indole;1,3-oxazole.

Molecular Properties

Compound Name1H-indole;1,3-oxazole
PubChem CID70038925
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name1H-indole;1,3-oxazole
SMILESc1ccc2[nH]ccc2c1.c1cocn1
InChIInChI=1S/C8H7N.C3H3NO/c1-2-4-8-7(3-1)5-6-9-8;1-2-5-3-4-1/h1-6,9H;1-3H
InChIKeyBAFYQTLKMCGTPW-UHFFFAOYSA-N
XLogP2.84
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-indole;1,3-oxazole?
The IUPAC name of 1H-indole;1,3-oxazole (CID 70038925) is 1H-indole;1,3-oxazole.
What is the SMILES notation for 1H-indole;1,3-oxazole?
The canonical SMILES for 1H-indole;1,3-oxazole is c1ccc2[nH]ccc2c1.c1cocn1.
What is the InChIKey of 1H-indole;1,3-oxazole?
The InChIKey is BAFYQTLKMCGTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C3H3NO/c1-2-4-8-7(3-1)5-6-9-8;1-2-5-3-4-1/h1-6,9H;1-3H.
What are the key properties of 1H-indole;1,3-oxazole?
1H-indole;1,3-oxazole has a molecular weight of 186.21 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole;1,3-oxazole is sourced from PubChem (CID 70038925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).