4-(2-cyclobutylethyl)-1,3-oxazole

C9H13NO — CID 123458170

IUPAC4-(2-cyclobutylethyl)-1,3-oxazole
SMILESc1nc(CCC2CCC2)co1
InChIInChI=1S/C9H13NO/c1-2-8(3-1)4-5-9-6-11-7-10-9/h6-8H,1-5H2
InChIKeyJECFVXKQOULEMZ-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.41
Rot. Bonds3

About 4-(2-cyclobutylethyl)-1,3-oxazole

4-(2-cyclobutylethyl)-1,3-oxazole (PubChem CID 123458170) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-(2-cyclobutylethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(2-cyclobutylethyl)-1,3-oxazole
PubChem CID123458170
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4-(2-cyclobutylethyl)-1,3-oxazole
SMILESc1nc(CCC2CCC2)co1
InChIInChI=1S/C9H13NO/c1-2-8(3-1)4-5-9-6-11-7-10-9/h6-8H,1-5H2
InChIKeyJECFVXKQOULEMZ-UHFFFAOYSA-N
XLogP2.41
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1,3-oxazole
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4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-oxazole
CID 130638362
N-methyl-1-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride
CID 120838868
4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-oxazole
CID 131201638
4-(2-cyclohexylethyl)-1H-pyrimidin-6-one
CID 137025535
5-[2-(oxan-4-yl)ethyl]pyrazine-2,3-diamine
CID 66699694
N-methyl-N-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]cyclopropanesulfonamide
CID 171324311
1-(1,3-oxazol-4-ylmethyl)piperidine-3-carbonitrile
CID 123687188
4-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole
CID 139319977
2-(2-cyclohexylethyl)-1,3,5-triazine
CID 90833787
N-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide
CID 172891381

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutylethyl)-1,3-oxazole?
The IUPAC name of 4-(2-cyclobutylethyl)-1,3-oxazole (CID 123458170) is 4-(2-cyclobutylethyl)-1,3-oxazole.
What is the SMILES notation for 4-(2-cyclobutylethyl)-1,3-oxazole?
The canonical SMILES for 4-(2-cyclobutylethyl)-1,3-oxazole is c1nc(CCC2CCC2)co1.
What is the InChIKey of 4-(2-cyclobutylethyl)-1,3-oxazole?
The InChIKey is JECFVXKQOULEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-8(3-1)4-5-9-6-11-7-10-9/h6-8H,1-5H2.
What are the key properties of 4-(2-cyclobutylethyl)-1,3-oxazole?
4-(2-cyclobutylethyl)-1,3-oxazole has a molecular weight of 151.21 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutylethyl)-1,3-oxazole is sourced from PubChem (CID 123458170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).