3-tert-butyl-5-ethyl-1,2-oxazole

C9H15NO — CID 67571454

IUPAC3-tert-butyl-5-ethyl-1,2-oxazole
SMILESCCc1cc(C(C)(C)C)no1
InChIInChI=1S/C9H15NO/c1-5-7-6-8(10-11-7)9(2,3)4/h6H,5H2,1-4H3
InChIKeyLSWBACZIVYUZAF-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.53
Rot. Bonds1

About 3-tert-butyl-5-ethyl-1,2-oxazole

3-tert-butyl-5-ethyl-1,2-oxazole (PubChem CID 67571454) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-tert-butyl-5-ethyl-1,2-oxazole.

Molecular Properties

Compound Name3-tert-butyl-5-ethyl-1,2-oxazole
PubChem CID67571454
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-tert-butyl-5-ethyl-1,2-oxazole
SMILESCCc1cc(C(C)(C)C)no1
InChIInChI=1S/C9H15NO/c1-5-7-6-8(10-11-7)9(2,3)4/h6H,5H2,1-4H3
InChIKeyLSWBACZIVYUZAF-UHFFFAOYSA-N
XLogP2.53
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Dimethylisoxazole
CID 9312
3-(2,2-Dimethylpropyl)-1,2-oxazol-5-amine
CID 2117533
3-Tert-butyl-1,2-oxazol-5-amine
CID 2095694
(3-Ethyl-1,2-oxazol-5-yl)methanamine
CID 6483891
[3-(Propan-2-yl)-1,2-oxazol-5-yl]methanamine
CID 6483898
5-(3-Chloropropyl)-3-methylisoxazole
CID 10103423
3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)isoxazole
CID 3016055
1-(5-Methyl-1,2-oxazol-3-yl)ethan-1-one
CID 11147714
5-(Bromomethyl)-3-ethyl-1,2-oxazole
CID 12174845
5-(Bromomethyl)-3-(propan-2-yl)-1,2-oxazole
CID 14852907
1-(3-Methyl-1,2-oxazol-5-yl)ethan-1-one
CID 13001394
3-(Propan-2-yl)-1,2-oxazole-5-carbaldehyde
CID 14366561

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-ethyl-1,2-oxazole?
The IUPAC name of 3-tert-butyl-5-ethyl-1,2-oxazole (CID 67571454) is 3-tert-butyl-5-ethyl-1,2-oxazole.
What is the SMILES notation for 3-tert-butyl-5-ethyl-1,2-oxazole?
The canonical SMILES for 3-tert-butyl-5-ethyl-1,2-oxazole is CCc1cc(C(C)(C)C)no1.
What is the InChIKey of 3-tert-butyl-5-ethyl-1,2-oxazole?
The InChIKey is LSWBACZIVYUZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-5-7-6-8(10-11-7)9(2,3)4/h6H,5H2,1-4H3.
What are the key properties of 3-tert-butyl-5-ethyl-1,2-oxazole?
3-tert-butyl-5-ethyl-1,2-oxazole has a molecular weight of 153.22 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-ethyl-1,2-oxazole is sourced from PubChem (CID 67571454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).