2,3-dimethylfuran;4,5-dimethyl-1,3-oxazole;2,3-dimethylpyridine;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,2-xylene

C37H49N3O2S2 — CID 157401617

IUPAC2,3-dimethylfuran;4,5-dimethyl-1,3-oxazole;2,3-dimethylpyridine;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,2-xylene
SMILESCc1ccccc1C.Cc1cccnc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1ncoc1C.Cc1ncsc1C
InChIInChI=1S/C8H10.C7H9N.C6H8O.C6H8S.C5H7NO.C5H7NS/c1-7-5-3-4-6-8(7)2;1-6-4-3-5-8-7(6)2;2*1-5-3-4-7-6(5)2;2*1-4-5(2)7-3-6-4/h3-6H,1-2H3;3-5H,1-2H3;2*3-4H,1-2H3;2*3H,1-2H3
InChIKeyBNFTUNUEAIWLAP-UHFFFAOYSA-N
MW631.95 g/mol
LogP11.31
Rot. Bonds

About 2,3-dimethylfuran;4,5-dimethyl-1,3-oxazole;2,3-dimethylpyridine;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,2-xylene

2,3-dimethylfuran;4,5-dimethyl-1,3-oxazole;2,3-dimethylpyridine;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,2-xylene (PubChem CID 157401617) has the molecular formula C37H49N3O2S2 and a molecular weight of 631.95 g/mol. Its IUPAC name is 2,3-dimethylfuran;4,5-dimethyl-1,3-oxazole;2,3-dimethylpyridine;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,2-xylene.

Molecular Properties

Compound Name2,3-dimethylfuran;4,5-dimethyl-1,3-oxazole;2,3-dimethylpyridine;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,2-xylene
PubChem CID157401617
Molecular FormulaC37H49N3O2S2
Molecular Weight631.95 g/mol
Exact Mass631.33
IUPAC Name2,3-dimethylfuran;4,5-dimethyl-1,3-oxazole;2,3-dimethylpyridine;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,2-xylene
SMILESCc1ccccc1C.Cc1cccnc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1ncoc1C.Cc1ncsc1C
InChIInChI=1S/C8H10.C7H9N.C6H8O.C6H8S.C5H7NO.C5H7NS/c1-7-5-3-4-6-8(7)2;1-6-4-3-5-8-7(6)2;2*1-5-3-4-7-6(5)2;2*1-4-5(2)7-3-6-4/h3-6H,1-2H3;3-5H,1-2H3;2*3-4H,1-2H3;2*3H,1-2H3
InChIKeyBNFTUNUEAIWLAP-UHFFFAOYSA-N
XLogP11.31
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.95
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(Furan-2-yl)-6-[4-(1,3-thiazol-2-yl)phenyl]-4-pyridinyl]-1,3-thiazole
CID 145983842
4-[1-(Furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyridin-2-yl-1,3-thiazole
CID 2446360
2-(Furan-2-yl)-4-(5-methyl-3-pyridinyl)-1,3-thiazole
CID 86818866
2-(furan-2-yl)-4-[[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 164634305
3-[5-(4-Fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-1-one
CID 30766111
5-(4-Fluorophenyl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-oxazole
CID 51112353
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 78843587
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 133811486
1-[4-(Furan-2-carbonyl)piperazin-1-YL]-2-[2-(4-phenyl-1,3-thiazol-2-YL)-1H-pyrrol-1-YL]ethan-1-one
CID 53131985
5-[[6-[2-(5-Methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione
CID 15288932
2-Amino-5-[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-1,3-thiazol-4-one
CID 18989580
5-Methyl-4-[2-[3-[(4-methyl-1-thiophen-2-ylpyrrol-3-yl)methyl]phenoxy]ethyl]-2-phenyl-1,3-oxazole
CID 59067222

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylfuran;4,5-dimethyl-1,3-oxazole;2,3-dimethylpyridine;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,2-xylene?
The IUPAC name of 2,3-dimethylfuran;4,5-dimethyl-1,3-oxazole;2,3-dimethylpyridine;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,2-xylene (CID 157401617) is 2,3-dimethylfuran;4,5-dimethyl-1,3-oxazole;2,3-dimethylpyridine;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,2-xylene.
What is the SMILES notation for 2,3-dimethylfuran;4,5-dimethyl-1,3-oxazole;2,3-dimethylpyridine;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,2-xylene?
The canonical SMILES for 2,3-dimethylfuran;4,5-dimethyl-1,3-oxazole;2,3-dimethylpyridine;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,2-xylene is Cc1ccccc1C.Cc1cccnc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1ncoc1C.Cc1ncsc1C.
What is the InChIKey of 2,3-dimethylfuran;4,5-dimethyl-1,3-oxazole;2,3-dimethylpyridine;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,2-xylene?
The InChIKey is BNFTUNUEAIWLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H9N.C6H8O.C6H8S.C5H7NO.C5H7NS/c1-7-5-3-4-6-8(7)2;1-6-4-3-5-8-7(6)2;2*1-5-3-4-7-6(5)2;2*1-4-5(2)7-3-6-4/h3-6H,1-2H3;3-5H,1-2H3;2*3-4H,1-2H3;2*3H,1-2H3.
What are the key properties of 2,3-dimethylfuran;4,5-dimethyl-1,3-oxazole;2,3-dimethylpyridine;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,2-xylene?
2,3-dimethylfuran;4,5-dimethyl-1,3-oxazole;2,3-dimethylpyridine;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,2-xylene has a molecular weight of 631.95 g/mol, XLogP of 11.31, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylfuran;4,5-dimethyl-1,3-oxazole;2,3-dimethylpyridine;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,2-xylene is sourced from PubChem (CID 157401617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).