5,5-dimethyl-2-propyl-4H-1,3-oxazole

C8H15NO — CID 15535721

IUPAC5,5-dimethyl-2-propyl-4H-1,3-oxazole
SMILESCCCC1=NCC(C)(C)O1
InChIInChI=1S/C8H15NO/c1-4-5-7-9-6-8(2,3)10-7/h4-6H2,1-3H3
InChIKeyUCFYBGVNAPTQHI-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.99
Rot. Bonds2

About 5,5-dimethyl-2-propyl-4H-1,3-oxazole

5,5-dimethyl-2-propyl-4H-1,3-oxazole (PubChem CID 15535721) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 5,5-dimethyl-2-propyl-4H-1,3-oxazole.

Molecular Properties

Compound Name5,5-dimethyl-2-propyl-4H-1,3-oxazole
PubChem CID15535721
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name5,5-dimethyl-2-propyl-4H-1,3-oxazole
SMILESCCCC1=NCC(C)(C)O1
InChIInChI=1S/C8H15NO/c1-4-5-7-9-6-8(2,3)10-7/h4-6H2,1-3H3
InChIKeyUCFYBGVNAPTQHI-UHFFFAOYSA-N
XLogP1.99
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5,5-Trimethyl-4,5-dihydro-1,3-oxazole
CID 293676
2,5-Dimethyl-5-ethyl-2-oxazoline
CID 543632
Owdfxnwdfqrhfi-uhfffaoysa-
CID 21728740
2-ethyl-5,5-dimethyl-4H-1,3-oxazole
CID 12497753
2-tert-butyl-5,5-dimethyl-4H-1,3-oxazole
CID 12824751
5,5-diethyl-2-propyl-4H-1,3-oxazole
CID 141059354
ethane;2,5,5-trimethyl-4H-1,3-oxazole
CID 145663757

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-propyl-4H-1,3-oxazole?
The IUPAC name of 5,5-dimethyl-2-propyl-4H-1,3-oxazole (CID 15535721) is 5,5-dimethyl-2-propyl-4H-1,3-oxazole.
What is the SMILES notation for 5,5-dimethyl-2-propyl-4H-1,3-oxazole?
The canonical SMILES for 5,5-dimethyl-2-propyl-4H-1,3-oxazole is CCCC1=NCC(C)(C)O1.
What is the InChIKey of 5,5-dimethyl-2-propyl-4H-1,3-oxazole?
The InChIKey is UCFYBGVNAPTQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-7-9-6-8(2,3)10-7/h4-6H2,1-3H3.
What are the key properties of 5,5-dimethyl-2-propyl-4H-1,3-oxazole?
5,5-dimethyl-2-propyl-4H-1,3-oxazole has a molecular weight of 141.21 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-propyl-4H-1,3-oxazole is sourced from PubChem (CID 15535721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).