4-ethyl-5-propan-2-yl-1,2-oxazole

C8H13NO — CID 118928258

IUPAC4-ethyl-5-propan-2-yl-1,2-oxazole
SMILESCCc1cnoc1C(C)C
InChIInChI=1S/C8H13NO/c1-4-7-5-9-10-8(7)6(2)3/h5-6H,4H2,1-3H3
InChIKeyNYKZALXUKVMJRJ-UHFFFAOYSA-N
MW139.20 g/mol
LogP2.36
Rot. Bonds2

About 4-ethyl-5-propan-2-yl-1,2-oxazole

4-ethyl-5-propan-2-yl-1,2-oxazole (PubChem CID 118928258) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-ethyl-5-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name4-ethyl-5-propan-2-yl-1,2-oxazole
PubChem CID118928258
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name4-ethyl-5-propan-2-yl-1,2-oxazole
SMILESCCc1cnoc1C(C)C
InChIInChI=1S/C8H13NO/c1-4-7-5-9-10-8(7)6(2)3/h5-6H,4H2,1-3H3
InChIKeyNYKZALXUKVMJRJ-UHFFFAOYSA-N
XLogP2.36
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-propan-2-yl-1,2-oxazole?
The IUPAC name of 4-ethyl-5-propan-2-yl-1,2-oxazole (CID 118928258) is 4-ethyl-5-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 4-ethyl-5-propan-2-yl-1,2-oxazole?
The canonical SMILES for 4-ethyl-5-propan-2-yl-1,2-oxazole is CCc1cnoc1C(C)C.
What is the InChIKey of 4-ethyl-5-propan-2-yl-1,2-oxazole?
The InChIKey is NYKZALXUKVMJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-7-5-9-10-8(7)6(2)3/h5-6H,4H2,1-3H3.
What are the key properties of 4-ethyl-5-propan-2-yl-1,2-oxazole?
4-ethyl-5-propan-2-yl-1,2-oxazole has a molecular weight of 139.20 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 118928258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).