4-ethyl-5-methyl-2-propyl-1,3-oxazole

C9H15NO — CID 580375

IUPAC4-ethyl-5-methyl-2-propyl-1,3-oxazole
SMILESCCCc1nc(CC)c(C)o1
InChIInChI=1S/C9H15NO/c1-4-6-9-10-8(5-2)7(3)11-9/h4-6H2,1-3H3
InChIKeyNUKWARDPXKRLRG-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.50
Rot. Bonds3

About 4-ethyl-5-methyl-2-propyl-1,3-oxazole

4-ethyl-5-methyl-2-propyl-1,3-oxazole (PubChem CID 580375) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-propyl-1,3-oxazole.

Molecular Properties

Compound Name4-ethyl-5-methyl-2-propyl-1,3-oxazole
PubChem CID580375
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-ethyl-5-methyl-2-propyl-1,3-oxazole
SMILESCCCc1nc(CC)c(C)o1
InChIInChI=1S/C9H15NO/c1-4-6-9-10-8(5-2)7(3)11-9/h4-6H2,1-3H3
InChIKeyNUKWARDPXKRLRG-UHFFFAOYSA-N
XLogP2.50
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2-propyl-1,3-oxazole?
The IUPAC name of 4-ethyl-5-methyl-2-propyl-1,3-oxazole (CID 580375) is 4-ethyl-5-methyl-2-propyl-1,3-oxazole.
What is the SMILES notation for 4-ethyl-5-methyl-2-propyl-1,3-oxazole?
The canonical SMILES for 4-ethyl-5-methyl-2-propyl-1,3-oxazole is CCCc1nc(CC)c(C)o1.
What is the InChIKey of 4-ethyl-5-methyl-2-propyl-1,3-oxazole?
The InChIKey is NUKWARDPXKRLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-6-9-10-8(5-2)7(3)11-9/h4-6H2,1-3H3.
What are the key properties of 4-ethyl-5-methyl-2-propyl-1,3-oxazole?
4-ethyl-5-methyl-2-propyl-1,3-oxazole has a molecular weight of 153.22 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2-propyl-1,3-oxazole is sourced from PubChem (CID 580375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).