3,5-ditert-butyl-5-propan-2-yl-4H-1,2-oxazole

C14H27NO — CID 58735354

IUPAC3,5-ditert-butyl-5-propan-2-yl-4H-1,2-oxazole
SMILESCC(C)C1(C(C)(C)C)CC(C(C)(C)C)=NO1
InChIInChI=1S/C14H27NO/c1-10(2)14(13(6,7)8)9-11(15-16-14)12(3,4)5/h10H,9H2,1-8H3
InChIKeyJCVLYQVYTNUJIA-UHFFFAOYSA-N
MW225.38 g/mol
LogP4.25
Rot. Bonds1

About 3,5-ditert-butyl-5-propan-2-yl-4H-1,2-oxazole

3,5-ditert-butyl-5-propan-2-yl-4H-1,2-oxazole (PubChem CID 58735354) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3,5-ditert-butyl-5-propan-2-yl-4H-1,2-oxazole.

Molecular Properties

Compound Name3,5-ditert-butyl-5-propan-2-yl-4H-1,2-oxazole
PubChem CID58735354
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3,5-ditert-butyl-5-propan-2-yl-4H-1,2-oxazole
SMILESCC(C)C1(C(C)(C)C)CC(C(C)(C)C)=NO1
InChIInChI=1S/C14H27NO/c1-10(2)14(13(6,7)8)9-11(15-16-14)12(3,4)5/h10H,9H2,1-8H3
InChIKeyJCVLYQVYTNUJIA-UHFFFAOYSA-N
XLogP4.25
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-5-propan-2-yl-4H-1,2-oxazole?
The IUPAC name of 3,5-ditert-butyl-5-propan-2-yl-4H-1,2-oxazole (CID 58735354) is 3,5-ditert-butyl-5-propan-2-yl-4H-1,2-oxazole.
What is the SMILES notation for 3,5-ditert-butyl-5-propan-2-yl-4H-1,2-oxazole?
The canonical SMILES for 3,5-ditert-butyl-5-propan-2-yl-4H-1,2-oxazole is CC(C)C1(C(C)(C)C)CC(C(C)(C)C)=NO1.
What is the InChIKey of 3,5-ditert-butyl-5-propan-2-yl-4H-1,2-oxazole?
The InChIKey is JCVLYQVYTNUJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-10(2)14(13(6,7)8)9-11(15-16-14)12(3,4)5/h10H,9H2,1-8H3.
What are the key properties of 3,5-ditert-butyl-5-propan-2-yl-4H-1,2-oxazole?
3,5-ditert-butyl-5-propan-2-yl-4H-1,2-oxazole has a molecular weight of 225.38 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-5-propan-2-yl-4H-1,2-oxazole is sourced from PubChem (CID 58735354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).