6-fluoro-N-[3-(methoxymethyl)oxolan-3-yl]-1,3-benzoxazol-2-amine

C13H15FN2O3 — CID 166601331

IUPAC6-fluoro-N-[3-(methoxymethyl)oxolan-3-yl]-1,3-benzoxazol-2-amine
SMILESCOCC1(Nc2nc3ccc(F)cc3o2)CCOC1
InChIInChI=1S/C13H15FN2O3/c1-17-7-13(4-5-18-8-13)16-12-15-10-3-2-9(14)6-11(10)19-12/h2-3,6H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyPJNWMNNCGZCORR-UHFFFAOYSA-N
MW266.27 g/mol
LogP2.18
Rot. Bonds4

About 6-fluoro-N-[3-(methoxymethyl)oxolan-3-yl]-1,3-benzoxazol-2-amine

6-fluoro-N-[3-(methoxymethyl)oxolan-3-yl]-1,3-benzoxazol-2-amine (PubChem CID 166601331) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 6-fluoro-N-[3-(methoxymethyl)oxolan-3-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[3-(methoxymethyl)oxolan-3-yl]-1,3-benzoxazol-2-amine
PubChem CID166601331
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name6-fluoro-N-[3-(methoxymethyl)oxolan-3-yl]-1,3-benzoxazol-2-amine
SMILESCOCC1(Nc2nc3ccc(F)cc3o2)CCOC1
InChIInChI=1S/C13H15FN2O3/c1-17-7-13(4-5-18-8-13)16-12-15-10-3-2-9(14)6-11(10)19-12/h2-3,6H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyPJNWMNNCGZCORR-UHFFFAOYSA-N
XLogP2.18
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-N-[3-(methoxymethyl)oxolan-3-yl]-1,3-benzoxazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[3-(methoxymethyl)oxolan-3-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 6-fluoro-N-[3-(methoxymethyl)oxolan-3-yl]-1,3-benzoxazol-2-amine (CID 166601331) is 6-fluoro-N-[3-(methoxymethyl)oxolan-3-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 6-fluoro-N-[3-(methoxymethyl)oxolan-3-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 6-fluoro-N-[3-(methoxymethyl)oxolan-3-yl]-1,3-benzoxazol-2-amine is COCC1(Nc2nc3ccc(F)cc3o2)CCOC1.
What is the InChIKey of 6-fluoro-N-[3-(methoxymethyl)oxolan-3-yl]-1,3-benzoxazol-2-amine?
The InChIKey is PJNWMNNCGZCORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-17-7-13(4-5-18-8-13)16-12-15-10-3-2-9(14)6-11(10)19-12/h2-3,6H,4-5,7-8H2,1H3,(H,15,16).
What are the key properties of 6-fluoro-N-[3-(methoxymethyl)oxolan-3-yl]-1,3-benzoxazol-2-amine?
6-fluoro-N-[3-(methoxymethyl)oxolan-3-yl]-1,3-benzoxazol-2-amine has a molecular weight of 266.27 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[3-(methoxymethyl)oxolan-3-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 166601331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).