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

C41H54N12O4S3 — CID 158663908

IUPAC3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene
SMILESCc1cc[nH]c1.Cc1ccn[nH]1.Cc1ccoc1.Cc1ccsc1.Cc1cn[nH]c1.Cc1cnno1.Cc1cnsc1.Cc1cocn1.Cc1conn1.Cc1cscn1
InChIInChI=1S/C5H7N.C5H6O.C5H6S.2C4H6N2.C4H5NO.2C4H5NS.2C3H4N2O/c3*1-5-2-3-6-4-5;1-4-2-5-6-3-4;1-4-2-3-5-6-4;2*1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-3-2-6-5-4-3;1-3-2-4-5-6-3/h2-4,6H,1H3;2*2-4H,1H3;2*2-3H,1H3,(H,5,6);3*2-3H,1H3;2*2H,1H3
InChIKeyIDCINFISAULKSH-UHFFFAOYSA-N
MW875.16 g/mol
LogP11.05
Rot. Bonds

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

3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene (PubChem CID 158663908) has the molecular formula C41H54N12O4S3 and a molecular weight of 875.16 g/mol. Its IUPAC name is 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene.

Molecular Properties

Compound Name3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene
PubChem CID158663908
Molecular FormulaC41H54N12O4S3
Molecular Weight875.16 g/mol
Exact Mass874.36
IUPAC Name3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene
SMILESCc1cc[nH]c1.Cc1ccn[nH]1.Cc1ccoc1.Cc1ccsc1.Cc1cn[nH]c1.Cc1cnno1.Cc1cnsc1.Cc1cocn1.Cc1conn1.Cc1cscn1
InChIInChI=1S/C5H7N.C5H6O.C5H6S.2C4H6N2.C4H5NO.2C4H5NS.2C3H4N2O/c3*1-5-2-3-6-4-5;1-4-2-5-6-3-4;1-4-2-3-5-6-4;2*1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-3-2-6-5-4-3;1-3-2-4-5-6-3/h2-4,6H,1H3;2*2-4H,1H3;2*2-3H,1H3,(H,5,6);3*2-3H,1H3;2*2H,1H3
InChIKeyIDCINFISAULKSH-UHFFFAOYSA-N
XLogP11.05
TPSA215.94 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500875.16
LogP ≤ 511.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

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

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Related Compounds

2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
CID 157102632
ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
CID 157362507
2-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
CID 157460024
3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;5-methyl-1,2,4-thiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;5-methyl-1H-1,2,4-triazole
CID 157469261
2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylfuran;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;1-methylpyrrole;3-methyl-1H-pyrrole;4-methyl-1,3-thiazole;3-methylthiophene;1-methyl-1,2,4-triazole
CID 157518954
3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylfuran;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;1-methylpyrrole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;1-methyl-1,2,4-triazole
CID 157617890
CID 157662851
CID 157662851
3-methylfuran;2-methyl-1,3,4-oxadiazole;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;3-methyl-1H-pyrrole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;3-methylthiophene;bis(5-methyl-1H-1,2,4-triazole)
CID 157762276
Ethane;furan;bis(1-methylpyrazole);bis(1-methylpyrrole);1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene
CID 157801845
ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
CID 157878642
2-tert-butyl-1,3,4-thiadiazole;cyclopenta-1,3-diene;furan;hexakis(2-methylpropane);5-propan-2-yl-1,3-oxazole;1H-pyrrole;bis(3H-pyrrole);thiophene
CID 157964458
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

Frequently Asked Questions

What is the IUPAC name of 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene?
The IUPAC name of 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene (CID 158663908) is 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene.
What is the SMILES notation for 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene?
The canonical SMILES for 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene is Cc1cc[nH]c1.Cc1ccn[nH]1.Cc1ccoc1.Cc1ccsc1.Cc1cn[nH]c1.Cc1cnno1.Cc1cnsc1.Cc1cocn1.Cc1conn1.Cc1cscn1.
What is the InChIKey of 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene?
The InChIKey is IDCINFISAULKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.C5H6O.C5H6S.2C4H6N2.C4H5NO.2C4H5NS.2C3H4N2O/c3*1-5-2-3-6-4-5;1-4-2-5-6-3-4;1-4-2-3-5-6-4;2*1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-3-2-6-5-4-3;1-3-2-4-5-6-3/h2-4,6H,1H3;2*2-4H,1H3;2*2-3H,1H3,(H,5,6);3*2-3H,1H3;2*2H,1H3.
What are the key properties of 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene?
3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene has a molecular weight of 875.16 g/mol, XLogP of 11.05, 0 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene is sourced from PubChem (CID 158663908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).