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

C32H60N4O4 — CID 159663872

IUPACethane;2-propan-2-yl-1,3-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(C)c1ccno1.CC(C)c1cnco1.CC(C)c1cocn1.CC(C)c1ncco1
InChIInChI=1S/4C6H9NO.4C2H6/c1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;4*1-2/h4*3-5H,1-2H3;4*1-2H3
InChIKeyMTDQQDGLCDCNHF-UHFFFAOYSA-N
MW564.86 g/mol
LogP11.30
Rot. Bonds4

About ethane;2-propan-2-yl-1,3-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;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole (PubChem CID 159663872) has the molecular formula C32H60N4O4 and a molecular weight of 564.86 g/mol. Its IUPAC name is ethane;2-propan-2-yl-1,3-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;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole
PubChem CID159663872
Molecular FormulaC32H60N4O4
Molecular Weight564.86 g/mol
Exact Mass564.46
IUPAC Nameethane;2-propan-2-yl-1,3-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(C)c1ccno1.CC(C)c1cnco1.CC(C)c1cocn1.CC(C)c1ncco1
InChIInChI=1S/4C6H9NO.4C2H6/c1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;4*1-2/h4*3-5H,1-2H3;4*1-2H3
InChIKeyMTDQQDGLCDCNHF-UHFFFAOYSA-N
XLogP11.30
TPSA104.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.86
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethane;2-propan-2-yl-1,3-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

4-Propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole
CID 153582995
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-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
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
2-Tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole
CID 158925069
2-Methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole
CID 159975295
Ethane;2-propan-2-yl-1,3-oxazole;3-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 160342206
2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;3-tert-butyl-4,5-dimethyl-1,2-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-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole
CID 160349549
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;bis(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
CID 161005638

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yl-1,3-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;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole (CID 159663872) is ethane;2-propan-2-yl-1,3-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;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;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(C)c1ccno1.CC(C)c1cnco1.CC(C)c1cocn1.CC(C)c1ncco1.
What is the InChIKey of ethane;2-propan-2-yl-1,3-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 MTDQQDGLCDCNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H9NO.4C2H6/c1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;4*1-2/h4*3-5H,1-2H3;4*1-2H3.
What are the key properties of ethane;2-propan-2-yl-1,3-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;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 564.86 g/mol, XLogP of 11.30, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yl-1,3-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 159663872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).