3,4,4,6,6-pentamethyl-5H-cyclopenta[d][1,2]oxazole

C11H17NO — CID 58734291

IUPAC3,4,4,6,6-pentamethyl-5H-cyclopenta[d][1,2]oxazole
SMILESCc1noc2c1C(C)(C)CC2(C)C
InChIInChI=1S/C11H17NO/c1-7-8-9(13-12-7)11(4,5)6-10(8,2)3/h6H2,1-5H3
InChIKeyIWTXCFYLMDHPEQ-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.94
Rot. Bonds

About 3,4,4,6,6-pentamethyl-5H-cyclopenta[d][1,2]oxazole

3,4,4,6,6-pentamethyl-5H-cyclopenta[d][1,2]oxazole (PubChem CID 58734291) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3,4,4,6,6-pentamethyl-5H-cyclopenta[d][1,2]oxazole.

Molecular Properties

Compound Name3,4,4,6,6-pentamethyl-5H-cyclopenta[d][1,2]oxazole
PubChem CID58734291
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3,4,4,6,6-pentamethyl-5H-cyclopenta[d][1,2]oxazole
SMILESCc1noc2c1C(C)(C)CC2(C)C
InChIInChI=1S/C11H17NO/c1-7-8-9(13-12-7)11(4,5)6-10(8,2)3/h6H2,1-5H3
InChIKeyIWTXCFYLMDHPEQ-UHFFFAOYSA-N
XLogP2.94
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,4,6,6-pentamethyl-5H-cyclopenta[d][1,2]oxazole?
The IUPAC name of 3,4,4,6,6-pentamethyl-5H-cyclopenta[d][1,2]oxazole (CID 58734291) is 3,4,4,6,6-pentamethyl-5H-cyclopenta[d][1,2]oxazole.
What is the SMILES notation for 3,4,4,6,6-pentamethyl-5H-cyclopenta[d][1,2]oxazole?
The canonical SMILES for 3,4,4,6,6-pentamethyl-5H-cyclopenta[d][1,2]oxazole is Cc1noc2c1C(C)(C)CC2(C)C.
What is the InChIKey of 3,4,4,6,6-pentamethyl-5H-cyclopenta[d][1,2]oxazole?
The InChIKey is IWTXCFYLMDHPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-7-8-9(13-12-7)11(4,5)6-10(8,2)3/h6H2,1-5H3.
What are the key properties of 3,4,4,6,6-pentamethyl-5H-cyclopenta[d][1,2]oxazole?
3,4,4,6,6-pentamethyl-5H-cyclopenta[d][1,2]oxazole has a molecular weight of 179.26 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,6,6-pentamethyl-5H-cyclopenta[d][1,2]oxazole is sourced from PubChem (CID 58734291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).