5-ethyl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propylfuran

C18H26N2O3 — CID 91201109

IUPAC5-ethyl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propylfuran
SMILESCC(C)c1ccno1.CCCc1ccco1.CCc1ccno1
InChIInChI=1S/C7H10O.C6H9NO.C5H7NO/c1-2-4-7-5-3-6-8-7;1-5(2)6-3-4-7-8-6;1-2-5-3-4-6-7-5/h3,5-6H,2,4H2,1H3;3-5H,1-2H3;3-4H,2H2,1H3
InChIKeyGXXKLPFWQNCGAP-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.27
Rot. Bonds4

About 5-ethyl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propylfuran

5-ethyl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propylfuran (PubChem CID 91201109) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 5-ethyl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propylfuran.

Molecular Properties

Compound Name5-ethyl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propylfuran
PubChem CID91201109
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name5-ethyl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propylfuran
SMILESCC(C)c1ccno1.CCCc1ccco1.CCc1ccno1
InChIInChI=1S/C7H10O.C6H9NO.C5H7NO/c1-2-4-7-5-3-6-8-7;1-5(2)6-3-4-7-8-6;1-2-5-3-4-6-7-5/h3,5-6H,2,4H2,1H3;3-5H,1-2H3;3-4H,2H2,1H3
InChIKeyGXXKLPFWQNCGAP-UHFFFAOYSA-N
XLogP5.27
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-5-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan
CID 157490743
5-(Furan-2-ylmethyl)-1,2-oxazole
CID 123918536
2-Methyl-4-(5-methylfuran-2-yl)-1-(1,2-oxazol-5-yl)-3-pyrrolidin-1-ylbutan-1-one;hydrochloride
CID 140379030
2-Propan-2-ylfuran;5-propan-2-yl-1,2-oxazole
CID 153583016
5-[1-(3,5-Dimethylfuran-2-yl)-5-(5-ethyl-4-methylfuran-3-yl)pentan-3-yl]-4-methyl-1,2-oxazole
CID 155036150
2-Methyl-5-propan-2-ylfuran;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylfuran
CID 157618525
2-Tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole
CID 158262824
3-Tert-butylfuran;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole
CID 158785018
2-Propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole
CID 160601389
3-Ethyl-1,2-oxazole;4-ethyl-1,2-oxazole;5-ethyl-1,2-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propylfuran;3-propyl-1,2-oxazole;4-propyl-1,2-oxazole
CID 160705392
2-Propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;1-(5-propan-2-yl-1,2-oxazol-3-yl)propan-1-one
CID 165001159
Ethane;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole
CID 167588089

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propylfuran?
The IUPAC name of 5-ethyl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propylfuran (CID 91201109) is 5-ethyl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propylfuran.
What is the SMILES notation for 5-ethyl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propylfuran?
The canonical SMILES for 5-ethyl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propylfuran is CC(C)c1ccno1.CCCc1ccco1.CCc1ccno1.
What is the InChIKey of 5-ethyl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propylfuran?
The InChIKey is GXXKLPFWQNCGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O.C6H9NO.C5H7NO/c1-2-4-7-5-3-6-8-7;1-5(2)6-3-4-7-8-6;1-2-5-3-4-6-7-5/h3,5-6H,2,4H2,1H3;3-5H,1-2H3;3-4H,2H2,1H3.
What are the key properties of 5-ethyl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propylfuran?
5-ethyl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propylfuran has a molecular weight of 318.42 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propylfuran is sourced from PubChem (CID 91201109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).