ethane;5-ethyl-1,3-oxazole

C9H19NO — CID 142253106

IUPACethane;5-ethyl-1,3-oxazole
SMILESCC.CC.CCc1cnco1
InChIInChI=1S/C5H7NO.2C2H6/c1-2-5-3-6-4-7-5;2*1-2/h3-4H,2H2,1H3;2*1-2H3
InChIKeyJXPIRNFALKAJNZ-UHFFFAOYSA-N
MW157.26 g/mol
LogP3.29
Rot. Bonds1

About ethane;5-ethyl-1,3-oxazole

ethane;5-ethyl-1,3-oxazole (PubChem CID 142253106) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is ethane;5-ethyl-1,3-oxazole.

Molecular Properties

Compound Nameethane;5-ethyl-1,3-oxazole
PubChem CID142253106
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Nameethane;5-ethyl-1,3-oxazole
SMILESCC.CC.CCc1cnco1
InChIInChI=1S/C5H7NO.2C2H6/c1-2-5-3-6-4-7-5;2*1-2/h3-4H,2H2,1H3;2*1-2H3
InChIKeyJXPIRNFALKAJNZ-UHFFFAOYSA-N
XLogP3.29
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-butyl-1,3-oxazole
CID 18000835
2-methyl-1-(1,3-oxazol-5-yl)propan-2-amine
CID 82594169
5-(ethylsulfonylmethyl)-1,3-oxazole
CID 117192206
N-methyl-N-(1,3-oxazol-5-ylmethyl)hydroxylamine
CID 82593723
N-(1,3-oxazol-5-ylmethyl)propan-2-amine
CID 58786923
4-(1,3-oxazol-5-yl)butan-2-one
CID 69229918
5-(2-propan-2-yloxyethyl)-1,3-oxazole
CID 58170162
5-methyl-1,3-oxazole
CID 143294178
5-(tetrazol-1-ylmethyl)-1,3-oxazole
CID 19771040
5-(6,6-dimethylheptyl)-1,3-oxazole
CID 59842159
N-(1,3-oxazol-5-ylmethyl)formamide
CID 156816044
2,5-dimethyl-N-(1,3-oxazol-5-ylmethyl)pyrrol-1-amine
CID 79101202

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-1,3-oxazole?
The IUPAC name of ethane;5-ethyl-1,3-oxazole (CID 142253106) is ethane;5-ethyl-1,3-oxazole.
What is the SMILES notation for ethane;5-ethyl-1,3-oxazole?
The canonical SMILES for ethane;5-ethyl-1,3-oxazole is CC.CC.CCc1cnco1.
What is the InChIKey of ethane;5-ethyl-1,3-oxazole?
The InChIKey is JXPIRNFALKAJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO.2C2H6/c1-2-5-3-6-4-7-5;2*1-2/h3-4H,2H2,1H3;2*1-2H3.
What are the key properties of ethane;5-ethyl-1,3-oxazole?
ethane;5-ethyl-1,3-oxazole has a molecular weight of 157.26 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-1,3-oxazole is sourced from PubChem (CID 142253106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).