3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene

C42H55N11O3S4 — CID 158077506

IUPAC3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene
SMILESCc1cc[nH]c1.Cc1ccn[nH]1.Cc1ccon1.Cc1ccsc1.Cc1ccsn1.Cc1cn[nH]c1.Cc1cnoc1.Cc1cnsc1.Cc1cocn1.Cc1cscn1
InChIInChI=1S/C5H7N.C5H6S.2C4H6N2.3C4H5NO.3C4H5NS/c2*1-5-2-3-6-4-5;1-4-2-5-6-3-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4/h2-4,6H,1H3;2-4H,1H3;2*2-3H,1H3,(H,5,6);6*2-3H,1H3
InChIKeyFMNYBZIDPMPQCE-UHFFFAOYSA-N
MW890.24 g/mol
LogP12.12
Rot. Bonds

About 3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene

3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene (PubChem CID 158077506) has the molecular formula C42H55N11O3S4 and a molecular weight of 890.24 g/mol. Its IUPAC name is 3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene.

Molecular Properties

Compound Name3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene
PubChem CID158077506
Molecular FormulaC42H55N11O3S4
Molecular Weight890.24 g/mol
Exact Mass889.34
IUPAC Name3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene
SMILESCc1cc[nH]c1.Cc1ccn[nH]1.Cc1ccon1.Cc1ccsc1.Cc1ccsn1.Cc1cn[nH]c1.Cc1cnoc1.Cc1cnsc1.Cc1cocn1.Cc1cscn1
InChIInChI=1S/C5H7N.C5H6S.2C4H6N2.3C4H5NO.3C4H5NS/c2*1-5-2-3-6-4-5;1-4-2-5-6-3-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4/h2-4,6H,1H3;2-4H,1H3;2*2-3H,1H3,(H,5,6);6*2-3H,1H3
InChIKeyFMNYBZIDPMPQCE-UHFFFAOYSA-N
XLogP12.12
TPSA189.91 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500890.24
LogP ≤ 512.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene?
The IUPAC name of 3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene (CID 158077506) is 3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene.
What is the SMILES notation for 3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene?
The canonical SMILES for 3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene is Cc1cc[nH]c1.Cc1ccn[nH]1.Cc1ccon1.Cc1ccsc1.Cc1ccsn1.Cc1cn[nH]c1.Cc1cnoc1.Cc1cnsc1.Cc1cocn1.Cc1cscn1.
What is the InChIKey of 3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene?
The InChIKey is FMNYBZIDPMPQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.C5H6S.2C4H6N2.3C4H5NO.3C4H5NS/c2*1-5-2-3-6-4-5;1-4-2-5-6-3-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4/h2-4,6H,1H3;2-4H,1H3;2*2-3H,1H3,(H,5,6);6*2-3H,1H3.
What are the key properties of 3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene?
3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene has a molecular weight of 890.24 g/mol, XLogP of 12.12, 0 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene is sourced from PubChem (CID 158077506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).