2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole

C18H27N7O2S — CID 159355043

IUPAC2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole
SMILESCc1cc(C)on1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1nnn(C)n1
InChIInChI=1S/2C5H7NO.C5H7NS.C3H6N4/c1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;1-3-4-6-7(2)5-3/h3*3H,1-2H3;1-2H3
InChIKeyLHUVXUUACUHULW-UHFFFAOYSA-N
MW405.53 g/mol
LogP3.86
Rot. Bonds

About 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole

2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole (PubChem CID 159355043) has the molecular formula C18H27N7O2S and a molecular weight of 405.53 g/mol. Its IUPAC name is 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole
PubChem CID159355043
Molecular FormulaC18H27N7O2S
Molecular Weight405.53 g/mol
Exact Mass405.19
IUPAC Name2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole
SMILESCc1cc(C)on1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1nnn(C)n1
InChIInChI=1S/2C5H7NO.C5H7NS.C3H6N4/c1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;1-3-4-6-7(2)5-3/h3*3H,1-2H3;1-2H3
InChIKeyLHUVXUUACUHULW-UHFFFAOYSA-N
XLogP3.86
TPSA108.55 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole with MolForge

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Related Compounds

2,5-Dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole
CID 144982112
2,5-Dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole
CID 157734609
2,5-Dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3-thiazole
CID 158075783
2,5-Di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);methane
CID 159178983
2,5-Dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3-thiazole
CID 159689872
2,5-Dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3,4-thiadiazole
CID 159872701
3,5-Dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole;bis(3,5-dimethyl-1,2-thiazole)
CID 160656130
2,5-Dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,5-dimethyltetrazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole
CID 161118297
2,5-Dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,5-dimethyl-1,3-oxazole);3,5-dimethyl-1,2-oxazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole)
CID 161971703
2,5-Di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(2,5-di(propan-2-yl)-1,3-thiazole)
CID 161982996
3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1H-1,2,4-triazole
CID 162045687
3,5-Dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole
CID 162112564

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole?
The IUPAC name of 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole (CID 159355043) is 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole is Cc1cc(C)on1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1nnn(C)n1.
What is the InChIKey of 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole?
The InChIKey is LHUVXUUACUHULW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7NO.C5H7NS.C3H6N4/c1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;1-3-4-6-7(2)5-3/h3*3H,1-2H3;1-2H3.
What are the key properties of 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole?
2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole has a molecular weight of 405.53 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 159355043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).