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

C14H23NO — CID 58157884

IUPAC5-(cyclopentylmethyl)-4-(2,2-dimethylpropyl)-1,3-oxazole
SMILESCC(C)(C)Cc1ncoc1CC1CCCC1
InChIInChI=1S/C14H23NO/c1-14(2,3)9-12-13(16-10-15-12)8-11-6-4-5-7-11/h10-11H,4-9H2,1-3H3
InChIKeyZVTGGKQUSUXJJD-UHFFFAOYSA-N
MW221.34 g/mol
LogP4.00
Rot. Bonds3

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

5-(cyclopentylmethyl)-4-(2,2-dimethylpropyl)-1,3-oxazole (PubChem CID 58157884) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 5-(cyclopentylmethyl)-4-(2,2-dimethylpropyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(cyclopentylmethyl)-4-(2,2-dimethylpropyl)-1,3-oxazole
PubChem CID58157884
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name5-(cyclopentylmethyl)-4-(2,2-dimethylpropyl)-1,3-oxazole
SMILESCC(C)(C)Cc1ncoc1CC1CCCC1
InChIInChI=1S/C14H23NO/c1-14(2,3)9-12-13(16-10-15-12)8-11-6-4-5-7-11/h10-11H,4-9H2,1-3H3
InChIKeyZVTGGKQUSUXJJD-UHFFFAOYSA-N
XLogP4.00
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethyl)-4-(2,2-dimethylpropyl)-1,3-oxazole?
The IUPAC name of 5-(cyclopentylmethyl)-4-(2,2-dimethylpropyl)-1,3-oxazole (CID 58157884) is 5-(cyclopentylmethyl)-4-(2,2-dimethylpropyl)-1,3-oxazole.
What is the SMILES notation for 5-(cyclopentylmethyl)-4-(2,2-dimethylpropyl)-1,3-oxazole?
The canonical SMILES for 5-(cyclopentylmethyl)-4-(2,2-dimethylpropyl)-1,3-oxazole is CC(C)(C)Cc1ncoc1CC1CCCC1.
What is the InChIKey of 5-(cyclopentylmethyl)-4-(2,2-dimethylpropyl)-1,3-oxazole?
The InChIKey is ZVTGGKQUSUXJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-14(2,3)9-12-13(16-10-15-12)8-11-6-4-5-7-11/h10-11H,4-9H2,1-3H3.
What are the key properties of 5-(cyclopentylmethyl)-4-(2,2-dimethylpropyl)-1,3-oxazole?
5-(cyclopentylmethyl)-4-(2,2-dimethylpropyl)-1,3-oxazole has a molecular weight of 221.34 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethyl)-4-(2,2-dimethylpropyl)-1,3-oxazole is sourced from PubChem (CID 58157884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).