2-propyloxazine

C7H11NO — CID 22999540

IUPAC2-propyloxazine
SMILESCCCN1C=CC=CO1
InChIInChI=1S/C7H11NO/c1-2-5-8-6-3-4-7-9-8/h3-4,6-7H,2,5H2,1H3
InChIKeyAHDMCAIXHONTNR-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.67
Rot. Bonds2

About 2-propyloxazine

2-propyloxazine (PubChem CID 22999540) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-propyloxazine.

Molecular Properties

Compound Name2-propyloxazine
PubChem CID22999540
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-propyloxazine
SMILESCCCN1C=CC=CO1
InChIInChI=1S/C7H11NO/c1-2-5-8-6-3-4-7-9-8/h3-4,6-7H,2,5H2,1H3
InChIKeyAHDMCAIXHONTNR-UHFFFAOYSA-N
XLogP1.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyloxazine?
The IUPAC name of 2-propyloxazine (CID 22999540) is 2-propyloxazine.
What is the SMILES notation for 2-propyloxazine?
The canonical SMILES for 2-propyloxazine is CCCN1C=CC=CO1.
What is the InChIKey of 2-propyloxazine?
The InChIKey is AHDMCAIXHONTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-5-8-6-3-4-7-9-8/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 2-propyloxazine?
2-propyloxazine has a molecular weight of 125.17 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyloxazine is sourced from PubChem (CID 22999540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).