2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;methane

C37H64N4O5 — CID 160857821

IUPAC2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;methane
SMILESC.CC(C)(C)C1=NCCO1.CC(C)(C)C1=NOCC1.CC(C)(C)c1ccco1.CC(C)(C)c1ccon1.CC(C)(C)c1ncco1
InChIInChI=1S/C8H12O.C7H13NO.C7H11NO.C7H13NO.C7H11NO.CH4/c1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-8-4-5-9-6;2*1-7(2,3)6-4-5-9-8-6;/h4-6H,1-3H3;4-5H2,1-3H3;4-5H,1-3H3;4-5H2,1-3H3;4-5H,1-3H3;1H4
InChIKeySKCAOEVHXTZKNW-UHFFFAOYSA-N
MW644.94 g/mol
LogP10.43
Rot. Bonds

About 2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;methane

2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;methane (PubChem CID 160857821) has the molecular formula C37H64N4O5 and a molecular weight of 644.94 g/mol. Its IUPAC name is 2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;methane.

Molecular Properties

Compound Name2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;methane
PubChem CID160857821
Molecular FormulaC37H64N4O5
Molecular Weight644.94 g/mol
Exact Mass644.49
IUPAC Name2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;methane
SMILESC.CC(C)(C)C1=NCCO1.CC(C)(C)C1=NOCC1.CC(C)(C)c1ccco1.CC(C)(C)c1ccon1.CC(C)(C)c1ncco1
InChIInChI=1S/C8H12O.C7H13NO.C7H11NO.C7H13NO.C7H11NO.CH4/c1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-8-4-5-9-6;2*1-7(2,3)6-4-5-9-8-6;/h4-6H,1-3H3;4-5H2,1-3H3;4-5H,1-3H3;4-5H2,1-3H3;4-5H,1-3H3;1H4
InChIKeySKCAOEVHXTZKNW-UHFFFAOYSA-N
XLogP10.43
TPSA108.38 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.94
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;methane?
The IUPAC name of 2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;methane (CID 160857821) is 2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;methane.
What is the SMILES notation for 2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;methane?
The canonical SMILES for 2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;methane is C.CC(C)(C)C1=NCCO1.CC(C)(C)C1=NOCC1.CC(C)(C)c1ccco1.CC(C)(C)c1ccon1.CC(C)(C)c1ncco1.
What is the InChIKey of 2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;methane?
The InChIKey is SKCAOEVHXTZKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O.C7H13NO.C7H11NO.C7H13NO.C7H11NO.CH4/c1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-8-4-5-9-6;2*1-7(2,3)6-4-5-9-8-6;/h4-6H,1-3H3;4-5H2,1-3H3;4-5H,1-3H3;4-5H2,1-3H3;4-5H,1-3H3;1H4.
What are the key properties of 2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;methane?
2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;methane has a molecular weight of 644.94 g/mol, XLogP of 10.43, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-4,5-dihydro-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;methane is sourced from PubChem (CID 160857821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).