1H-indole;1,3-oxazole;1,3-thiazole

C14H13N3OS — CID 86594208

IUPAC1H-indole;1,3-oxazole;1,3-thiazole
SMILESc1ccc2[nH]ccc2c1.c1cocn1.c1cscn1
InChIInChI=1S/C8H7N.C3H3NO.C3H3NS/c1-2-4-8-7(3-1)5-6-9-8;2*1-2-5-3-4-1/h1-6,9H;2*1-3H
InChIKeyHWJCLUJSBMKREW-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.99
Rot. Bonds

About 1H-indole;1,3-oxazole;1,3-thiazole

1H-indole;1,3-oxazole;1,3-thiazole (PubChem CID 86594208) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 1H-indole;1,3-oxazole;1,3-thiazole.

Molecular Properties

Compound Name1H-indole;1,3-oxazole;1,3-thiazole
PubChem CID86594208
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name1H-indole;1,3-oxazole;1,3-thiazole
SMILESc1ccc2[nH]ccc2c1.c1cocn1.c1cscn1
InChIInChI=1S/C8H7N.C3H3NO.C3H3NS/c1-2-4-8-7(3-1)5-6-9-8;2*1-2-5-3-4-1/h1-6,9H;2*1-3H
InChIKeyHWJCLUJSBMKREW-UHFFFAOYSA-N
XLogP3.99
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-indole;1,3-oxazole;1,3-thiazole?
The IUPAC name of 1H-indole;1,3-oxazole;1,3-thiazole (CID 86594208) is 1H-indole;1,3-oxazole;1,3-thiazole.
What is the SMILES notation for 1H-indole;1,3-oxazole;1,3-thiazole?
The canonical SMILES for 1H-indole;1,3-oxazole;1,3-thiazole is c1ccc2[nH]ccc2c1.c1cocn1.c1cscn1.
What is the InChIKey of 1H-indole;1,3-oxazole;1,3-thiazole?
The InChIKey is HWJCLUJSBMKREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C3H3NO.C3H3NS/c1-2-4-8-7(3-1)5-6-9-8;2*1-2-5-3-4-1/h1-6,9H;2*1-3H.
What are the key properties of 1H-indole;1,3-oxazole;1,3-thiazole?
1H-indole;1,3-oxazole;1,3-thiazole has a molecular weight of 271.35 g/mol, XLogP of 3.99, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole;1,3-oxazole;1,3-thiazole is sourced from PubChem (CID 86594208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).