2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;3-methyl-2,5-di(propan-2-yl)thiophene

C52H85NO3S2 — CID 159879474

IUPAC2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;3-methyl-2,5-di(propan-2-yl)thiophene
SMILESCC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.Cc1cc(C(C)C)oc1C(C)C.Cc1cc(C(C)C)sc1C(C)C.Cc1nc(C(C)C)oc1C(C)C
InChIInChI=1S/C11H18O.C11H18S.C10H17NO.C10H16O.C10H16S/c2*1-7(2)10-6-9(5)11(12-10)8(3)4;1-6(2)9-8(5)11-10(12-9)7(3)4;2*1-7(2)9-5-6-10(11-9)8(3)4/h2*6-8H,1-5H3;6-7H,1-5H3;2*5-8H,1-4H3
InChIKeyNTIORZUCGSVGQU-UHFFFAOYSA-N
MW836.39 g/mol
LogP18.89
Rot. Bonds10

About 2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;3-methyl-2,5-di(propan-2-yl)thiophene

2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;3-methyl-2,5-di(propan-2-yl)thiophene (PubChem CID 159879474) has the molecular formula C52H85NO3S2 and a molecular weight of 836.39 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;3-methyl-2,5-di(propan-2-yl)thiophene.

Molecular Properties

Compound Name2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;3-methyl-2,5-di(propan-2-yl)thiophene
PubChem CID159879474
Molecular FormulaC52H85NO3S2
Molecular Weight836.39 g/mol
Exact Mass835.60
IUPAC Name2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;3-methyl-2,5-di(propan-2-yl)thiophene
SMILESCC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.Cc1cc(C(C)C)oc1C(C)C.Cc1cc(C(C)C)sc1C(C)C.Cc1nc(C(C)C)oc1C(C)C
InChIInChI=1S/C11H18O.C11H18S.C10H17NO.C10H16O.C10H16S/c2*1-7(2)10-6-9(5)11(12-10)8(3)4;1-6(2)9-8(5)11-10(12-9)7(3)4;2*1-7(2)9-5-6-10(11-9)8(3)4/h2*6-8H,1-5H3;6-7H,1-5H3;2*5-8H,1-4H3
InChIKeyNTIORZUCGSVGQU-UHFFFAOYSA-N
XLogP18.89
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.39
LogP ≤ 518.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;3-methyl-2,5-di(propan-2-yl)thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-Bis[2,5-di-methyl(3-thienyl)]-2-phenyloxazole
CID 15892196
3,4-Bis(2,5-dimethylthiophen-3-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)cyclopent-2-en-1-one
CID 129877422
2-[3-[5-(4-Methyl-1,3-oxazol-5-yl)thiophen-2-yl]butyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole
CID 134386675
5-Tert-butyl-2-[5-[5-tert-butyl-4-(2-phenylbutyl)-1,3-oxazol-2-yl]thiophen-2-yl]-4-(2-phenylbutyl)-1,3-oxazole
CID 141224193
Bis(2,3,4-trimethylfuran);bis(2,3,5-trimethylfuran);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,3,4-trimethylthiophene);bis(2,3,5-trimethylthiophene)
CID 157238555
Bis(2,3-di(propan-2-yl)furan);bis(4,5-di(propan-2-yl)-1,3-oxazole);bis(4,5-di(propan-2-yl)-1,3-thiazole);bis(2,3-di(propan-2-yl)thiophene)
CID 158833090
Ethane;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylthiophene;bis(2,4,5-trimethyl-1,3-oxazole)
CID 160022876
Bis(2,3-di(propan-2-yl)furan);bis(4,5-di(propan-2-yl)-1,3-oxazole);bis(4,5-di(propan-2-yl)-1,3-thiazole);bis(2,3-di(propan-2-yl)thiophene);propane
CID 160192532
Bis(2,3-di(propan-2-yl)furan);bis(4,5-di(propan-2-yl)-1,3-oxazole);4,5-di(propan-2-yl)-1,3-thiazole;bis(2,3-di(propan-2-yl)thiophene)
CID 160339287
Ethane;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methylthiophene;tris(2,4,5-trimethyl-1,3-oxazole)
CID 161360290
Bis(2,3-di(propan-2-yl)furan);bis(4,5-di(propan-2-yl)-1,3-oxazole);bis(4,5-di(propan-2-yl)-1,3-thiazole);bis(2,3-di(propan-2-yl)thiophene);ethane
CID 161751958
Ethane;1-methylcyclopenta-1,3-diene;2-methylfuran;2-methyloxepine;2-methylthiophene;tris(2,4,5-trimethyl-1,3-oxazole)
CID 163476526

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;3-methyl-2,5-di(propan-2-yl)thiophene?
The IUPAC name of 2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;3-methyl-2,5-di(propan-2-yl)thiophene (CID 159879474) is 2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;3-methyl-2,5-di(propan-2-yl)thiophene.
What is the SMILES notation for 2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;3-methyl-2,5-di(propan-2-yl)thiophene?
The canonical SMILES for 2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;3-methyl-2,5-di(propan-2-yl)thiophene is CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.Cc1cc(C(C)C)oc1C(C)C.Cc1cc(C(C)C)sc1C(C)C.Cc1nc(C(C)C)oc1C(C)C.
What is the InChIKey of 2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;3-methyl-2,5-di(propan-2-yl)thiophene?
The InChIKey is NTIORZUCGSVGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O.C11H18S.C10H17NO.C10H16O.C10H16S/c2*1-7(2)10-6-9(5)11(12-10)8(3)4;1-6(2)9-8(5)11-10(12-9)7(3)4;2*1-7(2)9-5-6-10(11-9)8(3)4/h2*6-8H,1-5H3;6-7H,1-5H3;2*5-8H,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;3-methyl-2,5-di(propan-2-yl)thiophene?
2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;3-methyl-2,5-di(propan-2-yl)thiophene has a molecular weight of 836.39 g/mol, XLogP of 18.89, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)thiophene;3-methyl-2,5-di(propan-2-yl)furan;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;3-methyl-2,5-di(propan-2-yl)thiophene is sourced from PubChem (CID 159879474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).