ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole

C48H90N6O6 — CID 158028114

IUPACethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole
SMILESCC.CC.CC.CC.CC.CC.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cnco1.CC(C)c1cnoc1.CC(C)c1cocn1.CC(C)c1ncco1
InChIInChI=1S/6C6H9NO.6C2H6/c1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;6*1-2/h6*3-5H,1-2H3;6*1-2H3
InChIKeyFGVRDRDAQWHPKX-UHFFFAOYSA-N
MW847.28 g/mol
LogP16.95
Rot. Bonds6

About ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole

ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole (PubChem CID 158028114) has the molecular formula C48H90N6O6 and a molecular weight of 847.28 g/mol. Its IUPAC name is ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Nameethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole
PubChem CID158028114
Molecular FormulaC48H90N6O6
Molecular Weight847.28 g/mol
Exact Mass846.69
IUPAC Nameethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole
SMILESCC.CC.CC.CC.CC.CC.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cnco1.CC(C)c1cnoc1.CC(C)c1cocn1.CC(C)c1ncco1
InChIInChI=1S/6C6H9NO.6C2H6/c1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;6*1-2/h6*3-5H,1-2H3;6*1-2H3
InChIKeyFGVRDRDAQWHPKX-UHFFFAOYSA-N
XLogP16.95
TPSA156.18 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500847.28
LogP ≤ 516.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole with MolForge

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Related Compounds

5-(Difluoromethyl)-3-propan-2-yl-1,2-oxazole;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;3-(1-fluoroethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-4-propan-2-yl-1,3-oxazole);3-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;5-propan-2-yl-3-(trifluoromethyl)-1,2-oxazole
CID 165033333
2,4-Dimethyl-5-propan-2-yl-1,3-oxazole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;bis(3,4-di(propan-2-yl)-1,2-oxazole);bis(4,5-di(propan-2-yl)-1,2-oxazole);3-ethyl-5-methyl-4-propan-2-yl-1,2-oxazole;3-ethyl-4-propan-2-yl-1,2-oxazole;4-ethyl-5-propan-2-yl-1,2-oxazole;5-ethyl-4-propan-2-yl-1,2-oxazole;3-(2-fluoroethyl)-4-propan-2-yl-1,2-oxazole;3-methoxy-4-propan-2-yl-1,2-oxazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;3-methyl-4-propan-2-yl-1,2-oxazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;3-propan-2-yl-4-(2,2,2-trifluoroethyl)-1,2-oxazole;4-propan-2-yl-3-(trifluoromethyl)-1,2-oxazole;4-propan-2-yl-3-(3,3,3-trifluoropropyl)-1,2-oxazole
CID 168404651
1-Cyclopropyl-3-methyl-4-propan-2-ylpyrazole;1-cyclopropyl-5-methyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;3-fluoro-1-methyl-4-propan-2-ylpyrazole;5-fluoro-1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole
CID 157143588
2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole
CID 157343900
2-Tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-4-methyl-1,2,5-oxadiazole;3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;ethane;4-methyl-1,3-oxazole
CID 157440026
2-Methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole
CID 157448271
2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole
CID 157590126
2,4-Ditert-butyl-1,3-oxazole;2,5-ditert-butyl-1,3-oxazole;3,4-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole
CID 157921630
4-tert-butyl-2H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole
CID 157991158
4-(2,2-dimethylpropyl)-3,5-dimethyl-2H-pyrrole;2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-4-methyl-2H-pyrrole;4-(2,2-dimethylpropyl)-1,3-oxazole;5-(2,2-dimethylpropyl)-2H-pyrrole
CID 158169819
3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-2-propan-2-yl-1,3-oxazole);5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole
CID 158366146
4-tert-butyl-2-ethynyl-1,3-oxazole;4-tert-butyl-3-ethynyl-1,2-oxazole;5-tert-butyl-2-ethynyl-1,3-oxazole;5-tert-butyl-3-ethynyl-1,2-oxazole;3-tert-butyl-5-ethynyl-2H-pyrrole;4-tert-butyl-5-ethynyl-2H-pyrrole;5-tert-butyl-3-ethynyl-1,2-thiazole
CID 158622465

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole?
The IUPAC name of ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole (CID 158028114) is ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole?
The canonical SMILES for ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole is CC.CC.CC.CC.CC.CC.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cnco1.CC(C)c1cnoc1.CC(C)c1cocn1.CC(C)c1ncco1.
What is the InChIKey of ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole?
The InChIKey is FGVRDRDAQWHPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/6C6H9NO.6C2H6/c1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;6*1-2/h6*3-5H,1-2H3;6*1-2H3.
What are the key properties of ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole?
ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole has a molecular weight of 847.28 g/mol, XLogP of 16.95, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 158028114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).