3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene

C39H59N5O2S2 — CID 158921064

IUPAC3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
SMILESCC(C)c1cc[nH]c1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1cncs1
InChIInChI=1S/C7H11N.C7H10O.C7H10S.C6H10N2.C6H9NO.C6H9NS/c3*1-6(2)7-3-4-8-5-7;3*1-5(2)6-3-7-4-8-6/h3-6,8H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3
InChIKeyJHVMGIAUQSQOGF-UHFFFAOYSA-N
MW694.07 g/mol
LogP13.01
Rot. Bonds6

About 3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene

3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene (PubChem CID 158921064) has the molecular formula C39H59N5O2S2 and a molecular weight of 694.07 g/mol. Its IUPAC name is 3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene.

Molecular Properties

Compound Name3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
PubChem CID158921064
Molecular FormulaC39H59N5O2S2
Molecular Weight694.07 g/mol
Exact Mass693.41
IUPAC Name3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
SMILESCC(C)c1cc[nH]c1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1cncs1
InChIInChI=1S/C7H11N.C7H10O.C7H10S.C6H10N2.C6H9NO.C6H9NS/c3*1-6(2)7-3-4-8-5-7;3*1-5(2)6-3-7-4-8-6/h3-6,8H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3
InChIKeyJHVMGIAUQSQOGF-UHFFFAOYSA-N
XLogP13.01
TPSA96.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.07
LogP ≤ 513.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene with MolForge

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Related Compounds

2-[3-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-6-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1,3-oxazole
CID 141008273
2-[2-(1H-imidazol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrrol-3-yl]-1,3-oxazole
CID 141081867
2-[1-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole
CID 141107824
2-[1-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-pyridin-2-yl-6-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)-6-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-ylpiperazin-2-yl]-1,3-oxazole
CID 141284523
furan;tridecakis(2-methylpropane);1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;bis(3H-pyrrole);1,3-thiazole;thiophene
CID 157055612
1,2-Dimethylimidazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene
CID 157063946
3-ethyl-4-methoxythiophene;3-ethylthiophene;methane;3-methylfuran;1-methylimidazole;4-methyl-1,3-oxazole;4-methyl-1,3-thiazole;3-methylthiophene;1H-pyrrole;thiophene
CID 157157462
2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene
CID 157201203
Methane;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,2,4-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,3,5-trimethylthiophene
CID 157224691
6,7-Dimethyl-2-azabicyclo[3.2.0]hepta-1(5),3-diene;6,7-dimethylbicyclo[3.2.0]hepta-1(5),2-diene;bis(6,7-dimethyl-2,4-diazabicyclo[3.2.0]hepta-1(5),2-diene);6,7-dimethyl-2,4-dioxabicyclo[3.2.0]hept-1(5)-ene;bis(6,7-dimethyl-2-oxa-4-azabicyclo[3.2.0]hepta-1(5),3-diene);bis(6,7-dimethyl-2-oxabicyclo[3.2.0]hepta-1(5),3-diene);bis(6,7-dimethyl-2-thia-4-azabicyclo[3.2.0]hepta-1(5),3-diene);6,7-dimethyl-2-thiabicyclo[3.2.0]hepta-1(5),3-diene;bis(6,7-dimethyl-2,3,4-triazabicyclo[3.2.0]hepta-1,4-diene)
CID 157252263
2-(furan-2-yl)-1,3-oxazole;2-(1H-imidazol-2-yl)-1,3-thiazole;1H-pyrrole;2-(1H-pyrrol-2-yl)-1H-imidazole;2-(1,3-thiazol-2-yl)-1,3-oxazole
CID 157292818
carbanide;ethane;1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;octakis(yttrium)
CID 157332943

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene?
The IUPAC name of 3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene (CID 158921064) is 3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene.
What is the SMILES notation for 3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene?
The canonical SMILES for 3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene is CC(C)c1cc[nH]c1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1cncs1.
What is the InChIKey of 3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene?
The InChIKey is JHVMGIAUQSQOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.C7H10O.C7H10S.C6H10N2.C6H9NO.C6H9NS/c3*1-6(2)7-3-4-8-5-7;3*1-5(2)6-3-7-4-8-6/h3-6,8H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3.
What are the key properties of 3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene?
3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene has a molecular weight of 694.07 g/mol, XLogP of 13.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene is sourced from PubChem (CID 158921064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).