2-tert-butyl-5-hexan-2-yl-4-methyl-1,3-oxazole

C14H25NO — CID 138661537

IUPAC2-tert-butyl-5-hexan-2-yl-4-methyl-1,3-oxazole
SMILESCCCCC(C)c1oc(C(C)(C)C)nc1C
InChIInChI=1S/C14H25NO/c1-7-8-9-10(2)12-11(3)15-13(16-12)14(4,5)6/h10H,7-9H2,1-6H3
InChIKeyZNJHVKJHHMVZRA-UHFFFAOYSA-N
MW223.36 g/mol
LogP4.57
Rot. Bonds4

About 2-tert-butyl-5-hexan-2-yl-4-methyl-1,3-oxazole

2-tert-butyl-5-hexan-2-yl-4-methyl-1,3-oxazole (PubChem CID 138661537) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-tert-butyl-5-hexan-2-yl-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-5-hexan-2-yl-4-methyl-1,3-oxazole
PubChem CID138661537
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-tert-butyl-5-hexan-2-yl-4-methyl-1,3-oxazole
SMILESCCCCC(C)c1oc(C(C)(C)C)nc1C
InChIInChI=1S/C14H25NO/c1-7-8-9-10(2)12-11(3)15-13(16-12)14(4,5)6/h10H,7-9H2,1-6H3
InChIKeyZNJHVKJHHMVZRA-UHFFFAOYSA-N
XLogP4.57
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-hexan-2-yl-4-methyl-1,3-oxazole?
The IUPAC name of 2-tert-butyl-5-hexan-2-yl-4-methyl-1,3-oxazole (CID 138661537) is 2-tert-butyl-5-hexan-2-yl-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-5-hexan-2-yl-4-methyl-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-5-hexan-2-yl-4-methyl-1,3-oxazole is CCCCC(C)c1oc(C(C)(C)C)nc1C.
What is the InChIKey of 2-tert-butyl-5-hexan-2-yl-4-methyl-1,3-oxazole?
The InChIKey is ZNJHVKJHHMVZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-7-8-9-10(2)12-11(3)15-13(16-12)14(4,5)6/h10H,7-9H2,1-6H3.
What are the key properties of 2-tert-butyl-5-hexan-2-yl-4-methyl-1,3-oxazole?
2-tert-butyl-5-hexan-2-yl-4-methyl-1,3-oxazole has a molecular weight of 223.36 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-hexan-2-yl-4-methyl-1,3-oxazole is sourced from PubChem (CID 138661537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).