2-methyl-5,6-di(propan-2-yl)furo[2,3-d][1,3]oxazole

C12H17NO2 — CID 90310343

IUPAC2-methyl-5,6-di(propan-2-yl)furo[2,3-d][1,3]oxazole
SMILESCc1nc2oc(C(C)C)c(C(C)C)c2o1
InChIInChI=1S/C12H17NO2/c1-6(2)9-10(7(3)4)15-12-11(9)14-8(5)13-12/h6-7H,1-5H3
InChIKeyXIRQNBNZDOOWPB-UHFFFAOYSA-N
MW207.27 g/mol
LogP3.98
Rot. Bonds2

About 2-methyl-5,6-di(propan-2-yl)furo[2,3-d][1,3]oxazole

2-methyl-5,6-di(propan-2-yl)furo[2,3-d][1,3]oxazole (PubChem CID 90310343) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-methyl-5,6-di(propan-2-yl)furo[2,3-d][1,3]oxazole.

Molecular Properties

Compound Name2-methyl-5,6-di(propan-2-yl)furo[2,3-d][1,3]oxazole
PubChem CID90310343
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-methyl-5,6-di(propan-2-yl)furo[2,3-d][1,3]oxazole
SMILESCc1nc2oc(C(C)C)c(C(C)C)c2o1
InChIInChI=1S/C12H17NO2/c1-6(2)9-10(7(3)4)15-12-11(9)14-8(5)13-12/h6-7H,1-5H3
InChIKeyXIRQNBNZDOOWPB-UHFFFAOYSA-N
XLogP3.98
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6-di(propan-2-yl)furo[2,3-d][1,3]oxazole?
The IUPAC name of 2-methyl-5,6-di(propan-2-yl)furo[2,3-d][1,3]oxazole (CID 90310343) is 2-methyl-5,6-di(propan-2-yl)furo[2,3-d][1,3]oxazole.
What is the SMILES notation for 2-methyl-5,6-di(propan-2-yl)furo[2,3-d][1,3]oxazole?
The canonical SMILES for 2-methyl-5,6-di(propan-2-yl)furo[2,3-d][1,3]oxazole is Cc1nc2oc(C(C)C)c(C(C)C)c2o1.
What is the InChIKey of 2-methyl-5,6-di(propan-2-yl)furo[2,3-d][1,3]oxazole?
The InChIKey is XIRQNBNZDOOWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-6(2)9-10(7(3)4)15-12-11(9)14-8(5)13-12/h6-7H,1-5H3.
What are the key properties of 2-methyl-5,6-di(propan-2-yl)furo[2,3-d][1,3]oxazole?
2-methyl-5,6-di(propan-2-yl)furo[2,3-d][1,3]oxazole has a molecular weight of 207.27 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6-di(propan-2-yl)furo[2,3-d][1,3]oxazole is sourced from PubChem (CID 90310343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).