4-(cyclopentylmethyl)-3,5-dimethyl-1,2-oxazole

C11H17NO — CID 86105967

IUPAC4-(cyclopentylmethyl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CC1CCCC1
InChIInChI=1S/C11H17NO/c1-8-11(9(2)13-12-8)7-10-5-3-4-6-10/h10H,3-7H2,1-2H3
InChIKeyDQUXRHBNUNUTGY-UHFFFAOYSA-N
MW179.26 g/mol
LogP3.02
Rot. Bonds2

About 4-(cyclopentylmethyl)-3,5-dimethyl-1,2-oxazole

4-(cyclopentylmethyl)-3,5-dimethyl-1,2-oxazole (PubChem CID 86105967) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(cyclopentylmethyl)-3,5-dimethyl-1,2-oxazole
PubChem CID86105967
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-(cyclopentylmethyl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CC1CCCC1
InChIInChI=1S/C11H17NO/c1-8-11(9(2)13-12-8)7-10-5-3-4-6-10/h10H,3-7H2,1-2H3
InChIKeyDQUXRHBNUNUTGY-UHFFFAOYSA-N
XLogP3.02
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethyl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(cyclopentylmethyl)-3,5-dimethyl-1,2-oxazole (CID 86105967) is 4-(cyclopentylmethyl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(cyclopentylmethyl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(cyclopentylmethyl)-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1CC1CCCC1.
What is the InChIKey of 4-(cyclopentylmethyl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is DQUXRHBNUNUTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-11(9(2)13-12-8)7-10-5-3-4-6-10/h10H,3-7H2,1-2H3.
What are the key properties of 4-(cyclopentylmethyl)-3,5-dimethyl-1,2-oxazole?
4-(cyclopentylmethyl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 179.26 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethyl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 86105967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).