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

C13H21NO — CID 58157945

IUPAC4-(cyclobutylmethyl)-5-(2,2-dimethylpropyl)-1,3-oxazole
SMILESCC(C)(C)Cc1ocnc1CC1CCC1
InChIInChI=1S/C13H21NO/c1-13(2,3)8-12-11(14-9-15-12)7-10-5-4-6-10/h9-10H,4-8H2,1-3H3
InChIKeyVAVQLBHCWNGDGU-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.61
Rot. Bonds3

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

4-(cyclobutylmethyl)-5-(2,2-dimethylpropyl)-1,3-oxazole (PubChem CID 58157945) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(cyclobutylmethyl)-5-(2,2-dimethylpropyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(cyclobutylmethyl)-5-(2,2-dimethylpropyl)-1,3-oxazole
PubChem CID58157945
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-(cyclobutylmethyl)-5-(2,2-dimethylpropyl)-1,3-oxazole
SMILESCC(C)(C)Cc1ocnc1CC1CCC1
InChIInChI=1S/C13H21NO/c1-13(2,3)8-12-11(14-9-15-12)7-10-5-4-6-10/h9-10H,4-8H2,1-3H3
InChIKeyVAVQLBHCWNGDGU-UHFFFAOYSA-N
XLogP3.61
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethyl)-5-(2,2-dimethylpropyl)-1,3-oxazole?
The IUPAC name of 4-(cyclobutylmethyl)-5-(2,2-dimethylpropyl)-1,3-oxazole (CID 58157945) is 4-(cyclobutylmethyl)-5-(2,2-dimethylpropyl)-1,3-oxazole.
What is the SMILES notation for 4-(cyclobutylmethyl)-5-(2,2-dimethylpropyl)-1,3-oxazole?
The canonical SMILES for 4-(cyclobutylmethyl)-5-(2,2-dimethylpropyl)-1,3-oxazole is CC(C)(C)Cc1ocnc1CC1CCC1.
What is the InChIKey of 4-(cyclobutylmethyl)-5-(2,2-dimethylpropyl)-1,3-oxazole?
The InChIKey is VAVQLBHCWNGDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(2,3)8-12-11(14-9-15-12)7-10-5-4-6-10/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-(cyclobutylmethyl)-5-(2,2-dimethylpropyl)-1,3-oxazole?
4-(cyclobutylmethyl)-5-(2,2-dimethylpropyl)-1,3-oxazole has a molecular weight of 207.32 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethyl)-5-(2,2-dimethylpropyl)-1,3-oxazole is sourced from PubChem (CID 58157945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).