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

C22H26N6O2S — CID 172713361

IUPAC1H-indole;morpholine;1,3-oxazole;pyrazine;1,3-thiazole
SMILESC1COCCN1.c1ccc2[nH]ccc2c1.c1cnccn1.c1cocn1.c1cscn1
InChIInChI=1S/C8H7N.C4H4N2.C4H9NO.C3H3NO.C3H3NS/c1-2-4-8-7(3-1)5-6-9-8;1-2-6-4-3-5-1;1-3-6-4-2-5-1;2*1-2-5-3-4-1/h1-6,9H;1-4H;5H,1-4H2;2*1-3H
InChIKeyFNPQOIPAPYTPJZ-UHFFFAOYSA-N
MW438.56 g/mol
LogP4.07
Rot. Bonds

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

1H-indole;morpholine;1,3-oxazole;pyrazine;1,3-thiazole (PubChem CID 172713361) has the molecular formula C22H26N6O2S and a molecular weight of 438.56 g/mol. Its IUPAC name is 1H-indole;morpholine;1,3-oxazole;pyrazine;1,3-thiazole.

Molecular Properties

Compound Name1H-indole;morpholine;1,3-oxazole;pyrazine;1,3-thiazole
PubChem CID172713361
Molecular FormulaC22H26N6O2S
Molecular Weight438.56 g/mol
Exact Mass438.18
IUPAC Name1H-indole;morpholine;1,3-oxazole;pyrazine;1,3-thiazole
SMILESC1COCCN1.c1ccc2[nH]ccc2c1.c1cnccn1.c1cocn1.c1cscn1
InChIInChI=1S/C8H7N.C4H4N2.C4H9NO.C3H3NO.C3H3NS/c1-2-4-8-7(3-1)5-6-9-8;1-2-6-4-3-5-1;1-3-6-4-2-5-1;2*1-2-5-3-4-1/h1-6,9H;1-4H;5H,1-4H2;2*1-3H
InChIKeyFNPQOIPAPYTPJZ-UHFFFAOYSA-N
XLogP4.07
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1H-indole;morpholine;1,3-oxazole;pyrazine;1,3-thiazole?
The IUPAC name of 1H-indole;morpholine;1,3-oxazole;pyrazine;1,3-thiazole (CID 172713361) is 1H-indole;morpholine;1,3-oxazole;pyrazine;1,3-thiazole.
What is the SMILES notation for 1H-indole;morpholine;1,3-oxazole;pyrazine;1,3-thiazole?
The canonical SMILES for 1H-indole;morpholine;1,3-oxazole;pyrazine;1,3-thiazole is C1COCCN1.c1ccc2[nH]ccc2c1.c1cnccn1.c1cocn1.c1cscn1.
What is the InChIKey of 1H-indole;morpholine;1,3-oxazole;pyrazine;1,3-thiazole?
The InChIKey is FNPQOIPAPYTPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C4H4N2.C4H9NO.C3H3NO.C3H3NS/c1-2-4-8-7(3-1)5-6-9-8;1-2-6-4-3-5-1;1-3-6-4-2-5-1;2*1-2-5-3-4-1/h1-6,9H;1-4H;5H,1-4H2;2*1-3H.
What are the key properties of 1H-indole;morpholine;1,3-oxazole;pyrazine;1,3-thiazole?
1H-indole;morpholine;1,3-oxazole;pyrazine;1,3-thiazole has a molecular weight of 438.56 g/mol, XLogP of 4.07, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole;morpholine;1,3-oxazole;pyrazine;1,3-thiazole is sourced from PubChem (CID 172713361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).