1,2-oxazole;bis(1,3-oxazole);1,3-thiazole

C12H12N4O3S — CID 175237722

IUPAC1,2-oxazole;bis(1,3-oxazole);1,3-thiazole
SMILESc1cnoc1.c1cocn1.c1cocn1.c1cscn1
InChIInChI=1S/3C3H3NO.C3H3NS/c2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1/h4*1-3H
InChIKeyZWZDBYVWWOVPID-UHFFFAOYSA-N
MW292.32 g/mol
LogP3.17
Rot. Bonds

About 1,2-oxazole;bis(1,3-oxazole);1,3-thiazole

1,2-oxazole;bis(1,3-oxazole);1,3-thiazole (PubChem CID 175237722) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 1,2-oxazole;bis(1,3-oxazole);1,3-thiazole.

Molecular Properties

Compound Name1,2-oxazole;bis(1,3-oxazole);1,3-thiazole
PubChem CID175237722
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name1,2-oxazole;bis(1,3-oxazole);1,3-thiazole
SMILESc1cnoc1.c1cocn1.c1cocn1.c1cscn1
InChIInChI=1S/3C3H3NO.C3H3NS/c2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1/h4*1-3H
InChIKeyZWZDBYVWWOVPID-UHFFFAOYSA-N
XLogP3.17
TPSA90.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1,2-Oxazole;1,3-oxazole;1,2-thiazole
CID 68159088
1,2-Oxazole;1,3-oxazole;1,2-thiazole
CID 68159088
1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;2H-triazole
CID 69285899
1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;2H-triazole
CID 69285899
Oxadiazole;1,2-oxazole;1,3-oxazole;thiophene
CID 157998356
Oxadiazole;1,2-oxazole;1,3-oxazole;1,2-thiazole
CID 158395419
1,2-Oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene
CID 158572610
Oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole
CID 158893269
1,2-Oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole
CID 159034208
1,2-Oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole
CID 159034208
2,2-Dimethylpropane;2-ethyl-1,2-oxazol-2-ium;3-ethyl-1,3-oxazol-3-ium;2-ethyl-1,2-thiazol-2-ium;3-ethyl-1,3-thiazol-3-ium;tris(2-methylpropane)
CID 160522501
2,2-Dimethylpropane;2-ethyl-1,2-oxazol-2-ium;3-ethyl-1,3-oxazol-3-ium;2-ethyl-1,2-thiazol-2-ium;3-ethyl-1,3-thiazol-3-ium;tris(2-methylpropane)
CID 160522501

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazole;bis(1,3-oxazole);1,3-thiazole?
The IUPAC name of 1,2-oxazole;bis(1,3-oxazole);1,3-thiazole (CID 175237722) is 1,2-oxazole;bis(1,3-oxazole);1,3-thiazole.
What is the SMILES notation for 1,2-oxazole;bis(1,3-oxazole);1,3-thiazole?
The canonical SMILES for 1,2-oxazole;bis(1,3-oxazole);1,3-thiazole is c1cnoc1.c1cocn1.c1cocn1.c1cscn1.
What is the InChIKey of 1,2-oxazole;bis(1,3-oxazole);1,3-thiazole?
The InChIKey is ZWZDBYVWWOVPID-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H3NO.C3H3NS/c2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1/h4*1-3H.
What are the key properties of 1,2-oxazole;bis(1,3-oxazole);1,3-thiazole?
1,2-oxazole;bis(1,3-oxazole);1,3-thiazole has a molecular weight of 292.32 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazole;bis(1,3-oxazole);1,3-thiazole is sourced from PubChem (CID 175237722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).