1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole

C15H17N7O2S — CID 66973871

IUPAC1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole
SMILESc1c[nH]cn1.c1cn[nH]c1.c1cnoc1.c1cocn1.c1cscn1
InChIInChI=1S/2C3H4N2.2C3H3NO.C3H3NS/c1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1/h2*1-3H,(H,4,5);3*1-3H
InChIKeyQQMFCURXCVGIEO-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.31
Rot. Bonds

About 1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole

1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole (PubChem CID 66973871) has the molecular formula C15H17N7O2S and a molecular weight of 359.42 g/mol. Its IUPAC name is 1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole.

Molecular Properties

Compound Name1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole
PubChem CID66973871
Molecular FormulaC15H17N7O2S
Molecular Weight359.42 g/mol
Exact Mass359.12
IUPAC Name1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole
SMILESc1c[nH]cn1.c1cn[nH]c1.c1cnoc1.c1cocn1.c1cscn1
InChIInChI=1S/2C3H4N2.2C3H3NO.C3H3NS/c1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1/h2*1-3H,(H,4,5);3*1-3H
InChIKeyQQMFCURXCVGIEO-UHFFFAOYSA-N
XLogP3.31
TPSA122.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole?
The IUPAC name of 1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole (CID 66973871) is 1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole.
What is the SMILES notation for 1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole?
The canonical SMILES for 1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole is c1c[nH]cn1.c1cn[nH]c1.c1cnoc1.c1cocn1.c1cscn1.
What is the InChIKey of 1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole?
The InChIKey is QQMFCURXCVGIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H4N2.2C3H3NO.C3H3NS/c1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1/h2*1-3H,(H,4,5);3*1-3H.
What are the key properties of 1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole?
1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole has a molecular weight of 359.42 g/mol, XLogP of 3.31, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole is sourced from PubChem (CID 66973871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).