2-methyl-4,5-di(propan-2-yl)-1,3-oxazole

C10H17NO — CID 20770924

IUPAC2-methyl-4,5-di(propan-2-yl)-1,3-oxazole
SMILESCc1nc(C(C)C)c(C(C)C)o1
InChIInChI=1S/C10H17NO/c1-6(2)9-10(7(3)4)12-8(5)11-9/h6-7H,1-5H3
InChIKeyOANLHFKQMMCZRC-UHFFFAOYSA-N
MW167.25 g/mol
LogP3.23
Rot. Bonds2

About 2-methyl-4,5-di(propan-2-yl)-1,3-oxazole

2-methyl-4,5-di(propan-2-yl)-1,3-oxazole (PubChem CID 20770924) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-methyl-4,5-di(propan-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4,5-di(propan-2-yl)-1,3-oxazole
PubChem CID20770924
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-methyl-4,5-di(propan-2-yl)-1,3-oxazole
SMILESCc1nc(C(C)C)c(C(C)C)o1
InChIInChI=1S/C10H17NO/c1-6(2)9-10(7(3)4)12-8(5)11-9/h6-7H,1-5H3
InChIKeyOANLHFKQMMCZRC-UHFFFAOYSA-N
XLogP3.23
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-di(propan-2-yl)-1,3-oxazole?
The IUPAC name of 2-methyl-4,5-di(propan-2-yl)-1,3-oxazole (CID 20770924) is 2-methyl-4,5-di(propan-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-methyl-4,5-di(propan-2-yl)-1,3-oxazole?
The canonical SMILES for 2-methyl-4,5-di(propan-2-yl)-1,3-oxazole is Cc1nc(C(C)C)c(C(C)C)o1.
What is the InChIKey of 2-methyl-4,5-di(propan-2-yl)-1,3-oxazole?
The InChIKey is OANLHFKQMMCZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-6(2)9-10(7(3)4)12-8(5)11-9/h6-7H,1-5H3.
What are the key properties of 2-methyl-4,5-di(propan-2-yl)-1,3-oxazole?
2-methyl-4,5-di(propan-2-yl)-1,3-oxazole has a molecular weight of 167.25 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-di(propan-2-yl)-1,3-oxazole is sourced from PubChem (CID 20770924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).