2,5-dimethyl-4-propan-2-yl-1,3-oxazole

C8H13NO — CID 13111486

IUPAC2,5-dimethyl-4-propan-2-yl-1,3-oxazole
SMILESCc1nc(C(C)C)c(C)o1
InChIInChI=1S/C8H13NO/c1-5(2)8-6(3)10-7(4)9-8/h5H,1-4H3
InChIKeyCBLYZIYMPJHTLL-UHFFFAOYSA-N
MW139.20 g/mol
LogP2.41
Rot. Bonds1

About 2,5-dimethyl-4-propan-2-yl-1,3-oxazole

2,5-dimethyl-4-propan-2-yl-1,3-oxazole (PubChem CID 13111486) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2,5-dimethyl-4-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2,5-dimethyl-4-propan-2-yl-1,3-oxazole
PubChem CID13111486
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2,5-dimethyl-4-propan-2-yl-1,3-oxazole
SMILESCc1nc(C(C)C)c(C)o1
InChIInChI=1S/C8H13NO/c1-5(2)8-6(3)10-7(4)9-8/h5H,1-4H3
InChIKeyCBLYZIYMPJHTLL-UHFFFAOYSA-N
XLogP2.41
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-propan-2-yl-1,3-oxazole?
The IUPAC name of 2,5-dimethyl-4-propan-2-yl-1,3-oxazole (CID 13111486) is 2,5-dimethyl-4-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 2,5-dimethyl-4-propan-2-yl-1,3-oxazole?
The canonical SMILES for 2,5-dimethyl-4-propan-2-yl-1,3-oxazole is Cc1nc(C(C)C)c(C)o1.
What is the InChIKey of 2,5-dimethyl-4-propan-2-yl-1,3-oxazole?
The InChIKey is CBLYZIYMPJHTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-5(2)8-6(3)10-7(4)9-8/h5H,1-4H3.
What are the key properties of 2,5-dimethyl-4-propan-2-yl-1,3-oxazole?
2,5-dimethyl-4-propan-2-yl-1,3-oxazole has a molecular weight of 139.20 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 13111486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).