4-(2,2-dimethylpropyl)-5-ethyl-1,3-oxazole

C10H17NO — CID 58157895

IUPAC4-(2,2-dimethylpropyl)-5-ethyl-1,3-oxazole
SMILESCCc1ocnc1CC(C)(C)C
InChIInChI=1S/C10H17NO/c1-5-9-8(11-7-12-9)6-10(2,3)4/h7H,5-6H2,1-4H3
InChIKeyLRVXJWTXNJCPJR-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.83
Rot. Bonds2

About 4-(2,2-dimethylpropyl)-5-ethyl-1,3-oxazole

4-(2,2-dimethylpropyl)-5-ethyl-1,3-oxazole (PubChem CID 58157895) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-5-ethyl-1,3-oxazole.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-5-ethyl-1,3-oxazole
PubChem CID58157895
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-(2,2-dimethylpropyl)-5-ethyl-1,3-oxazole
SMILESCCc1ocnc1CC(C)(C)C
InChIInChI=1S/C10H17NO/c1-5-9-8(11-7-12-9)6-10(2,3)4/h7H,5-6H2,1-4H3
InChIKeyLRVXJWTXNJCPJR-UHFFFAOYSA-N
XLogP2.83
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-5-ethyl-1,3-oxazole?
The IUPAC name of 4-(2,2-dimethylpropyl)-5-ethyl-1,3-oxazole (CID 58157895) is 4-(2,2-dimethylpropyl)-5-ethyl-1,3-oxazole.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-5-ethyl-1,3-oxazole?
The canonical SMILES for 4-(2,2-dimethylpropyl)-5-ethyl-1,3-oxazole is CCc1ocnc1CC(C)(C)C.
What is the InChIKey of 4-(2,2-dimethylpropyl)-5-ethyl-1,3-oxazole?
The InChIKey is LRVXJWTXNJCPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-9-8(11-7-12-9)6-10(2,3)4/h7H,5-6H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropyl)-5-ethyl-1,3-oxazole?
4-(2,2-dimethylpropyl)-5-ethyl-1,3-oxazole has a molecular weight of 167.25 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-5-ethyl-1,3-oxazole is sourced from PubChem (CID 58157895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).