1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene

C16H16N4O2S3 — CID 158572610

IUPAC1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene
SMILESc1ccsc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1
InChIInChI=1S/C4H4S.2C3H3NO.2C3H3NS/c1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h1-4H;4*1-3H
InChIKeyHSGQXZLMIRIGQU-UHFFFAOYSA-N
MW392.53 g/mol
LogP5.38
Rot. Bonds

About 1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene

1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene (PubChem CID 158572610) has the molecular formula C16H16N4O2S3 and a molecular weight of 392.53 g/mol. Its IUPAC name is 1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene.

Molecular Properties

Compound Name1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene
PubChem CID158572610
Molecular FormulaC16H16N4O2S3
Molecular Weight392.53 g/mol
Exact Mass392.04
IUPAC Name1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene
SMILESc1ccsc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1
InChIInChI=1S/C4H4S.2C3H3NO.2C3H3NS/c1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h1-4H;4*1-3H
InChIKeyHSGQXZLMIRIGQU-UHFFFAOYSA-N
XLogP5.38
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.53
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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
cyclopenta-1,3-diene;furan;1,2-oxazole;1,3-oxazole;3H-pyrazole;4H-pyrazole;2H-pyrrole;3H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 158591975
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
bis(cyclopenta-1,3-diene);furan;1,2-oxazole;1,3-oxazole;2H-pyrrole;3H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 159192809
1,2-Oxazole;1,3-oxazole;thiophene
CID 160053879
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
Oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole
CID 160810480
4,5-Dihydro-1,3-oxazole;bis(1,2-oxazole);1,3-oxazolidine;1,2-oxazol-3-one;2-prop-2-enyl-1,3-oxazole;thiophene
CID 174446276
Oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2-thiazole;1,3-thiazole
CID 174451448
1,2-Oxazole;bis(1,3-oxazole);1,3-thiazole
CID 175237722

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene?
The IUPAC name of 1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene (CID 158572610) is 1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene.
What is the SMILES notation for 1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene?
The canonical SMILES for 1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene is c1ccsc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.
What is the InChIKey of 1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene?
The InChIKey is HSGQXZLMIRIGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4S.2C3H3NO.2C3H3NS/c1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h1-4H;4*1-3H.
What are the key properties of 1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene?
1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene has a molecular weight of 392.53 g/mol, XLogP of 5.38, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene is sourced from PubChem (CID 158572610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).