2,5-dimethyl-4-pentan-3-yl-1,3-oxazole

C10H17NO — CID 58018002

IUPAC2,5-dimethyl-4-pentan-3-yl-1,3-oxazole
SMILESCCC(CC)c1nc(C)oc1C
InChIInChI=1S/C10H17NO/c1-5-9(6-2)10-7(3)12-8(4)11-10/h9H,5-6H2,1-4H3
InChIKeyZVDSZKTXRWZWLV-UHFFFAOYSA-N
MW167.25 g/mol
LogP3.20
Rot. Bonds3

About 2,5-dimethyl-4-pentan-3-yl-1,3-oxazole

2,5-dimethyl-4-pentan-3-yl-1,3-oxazole (PubChem CID 58018002) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2,5-dimethyl-4-pentan-3-yl-1,3-oxazole.

Molecular Properties

Compound Name2,5-dimethyl-4-pentan-3-yl-1,3-oxazole
PubChem CID58018002
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2,5-dimethyl-4-pentan-3-yl-1,3-oxazole
SMILESCCC(CC)c1nc(C)oc1C
InChIInChI=1S/C10H17NO/c1-5-9(6-2)10-7(3)12-8(4)11-10/h9H,5-6H2,1-4H3
InChIKeyZVDSZKTXRWZWLV-UHFFFAOYSA-N
XLogP3.20
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-pentan-3-yl-1,3-oxazole?
The IUPAC name of 2,5-dimethyl-4-pentan-3-yl-1,3-oxazole (CID 58018002) is 2,5-dimethyl-4-pentan-3-yl-1,3-oxazole.
What is the SMILES notation for 2,5-dimethyl-4-pentan-3-yl-1,3-oxazole?
The canonical SMILES for 2,5-dimethyl-4-pentan-3-yl-1,3-oxazole is CCC(CC)c1nc(C)oc1C.
What is the InChIKey of 2,5-dimethyl-4-pentan-3-yl-1,3-oxazole?
The InChIKey is ZVDSZKTXRWZWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-9(6-2)10-7(3)12-8(4)11-10/h9H,5-6H2,1-4H3.
What are the key properties of 2,5-dimethyl-4-pentan-3-yl-1,3-oxazole?
2,5-dimethyl-4-pentan-3-yl-1,3-oxazole has a molecular weight of 167.25 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-pentan-3-yl-1,3-oxazole is sourced from PubChem (CID 58018002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).