2-heptan-3-yl-1,3-oxazole

C10H17NO — CID 14963548

IUPAC2-heptan-3-yl-1,3-oxazole
SMILESCCCCC(CC)c1ncco1
InChIInChI=1S/C10H17NO/c1-3-5-6-9(4-2)10-11-7-8-12-10/h7-9H,3-6H2,1-2H3
InChIKeyBRFJWYYJUACXOX-UHFFFAOYSA-N
MW167.25 g/mol
LogP3.36
Rot. Bonds5

About 2-heptan-3-yl-1,3-oxazole

2-heptan-3-yl-1,3-oxazole (PubChem CID 14963548) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-heptan-3-yl-1,3-oxazole.

Molecular Properties

Compound Name2-heptan-3-yl-1,3-oxazole
PubChem CID14963548
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-heptan-3-yl-1,3-oxazole
SMILESCCCCC(CC)c1ncco1
InChIInChI=1S/C10H17NO/c1-3-5-6-9(4-2)10-11-7-8-12-10/h7-9H,3-6H2,1-2H3
InChIKeyBRFJWYYJUACXOX-UHFFFAOYSA-N
XLogP3.36
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-heptan-3-yl-1,3-oxazole?
The IUPAC name of 2-heptan-3-yl-1,3-oxazole (CID 14963548) is 2-heptan-3-yl-1,3-oxazole.
What is the SMILES notation for 2-heptan-3-yl-1,3-oxazole?
The canonical SMILES for 2-heptan-3-yl-1,3-oxazole is CCCCC(CC)c1ncco1.
What is the InChIKey of 2-heptan-3-yl-1,3-oxazole?
The InChIKey is BRFJWYYJUACXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-5-6-9(4-2)10-11-7-8-12-10/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-heptan-3-yl-1,3-oxazole?
2-heptan-3-yl-1,3-oxazole has a molecular weight of 167.25 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptan-3-yl-1,3-oxazole is sourced from PubChem (CID 14963548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).