4-tert-butyl-2-propan-2-yl-1,3-oxazole

C10H17NO — CID 59788790

IUPAC4-tert-butyl-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1nc(C(C)(C)C)co1
InChIInChI=1S/C10H17NO/c1-7(2)9-11-8(6-12-9)10(3,4)5/h6-7H,1-5H3
InChIKeyOGGXQHYYQVSAKW-UHFFFAOYSA-N
MW167.25 g/mol
LogP3.10
Rot. Bonds1

About 4-tert-butyl-2-propan-2-yl-1,3-oxazole

4-tert-butyl-2-propan-2-yl-1,3-oxazole (PubChem CID 59788790) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-tert-butyl-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-tert-butyl-2-propan-2-yl-1,3-oxazole
PubChem CID59788790
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-tert-butyl-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1nc(C(C)(C)C)co1
InChIInChI=1S/C10H17NO/c1-7(2)9-11-8(6-12-9)10(3,4)5/h6-7H,1-5H3
InChIKeyOGGXQHYYQVSAKW-UHFFFAOYSA-N
XLogP3.10
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-tert-butyl-2-propan-2-yl-1,3-oxazole (CID 59788790) is 4-tert-butyl-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-tert-butyl-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-tert-butyl-2-propan-2-yl-1,3-oxazole is CC(C)c1nc(C(C)(C)C)co1.
What is the InChIKey of 4-tert-butyl-2-propan-2-yl-1,3-oxazole?
The InChIKey is OGGXQHYYQVSAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(2)9-11-8(6-12-9)10(3,4)5/h6-7H,1-5H3.
What are the key properties of 4-tert-butyl-2-propan-2-yl-1,3-oxazole?
4-tert-butyl-2-propan-2-yl-1,3-oxazole has a molecular weight of 167.25 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 59788790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).