6-fluoro-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzoxazol-2-amine

C16H16FN5O — CID 126916907

IUPAC6-fluoro-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzoxazol-2-amine
SMILESCc1ccc(N2CC(CNc3nc4ccc(F)cc4o3)C2)nn1
InChIInChI=1S/C16H16FN5O/c1-10-2-5-15(21-20-10)22-8-11(9-22)7-18-16-19-13-4-3-12(17)6-14(13)23-16/h2-6,11H,7-9H2,1H3,(H,18,19)
InChIKeySSMLBCSJLUABKS-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.61
Rot. Bonds4

About 6-fluoro-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzoxazol-2-amine

6-fluoro-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzoxazol-2-amine (PubChem CID 126916907) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is 6-fluoro-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzoxazol-2-amine
PubChem CID126916907
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC Name6-fluoro-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzoxazol-2-amine
SMILESCc1ccc(N2CC(CNc3nc4ccc(F)cc4o3)C2)nn1
InChIInChI=1S/C16H16FN5O/c1-10-2-5-15(21-20-10)22-8-11(9-22)7-18-16-19-13-4-3-12(17)6-14(13)23-16/h2-6,11H,7-9H2,1H3,(H,18,19)
InChIKeySSMLBCSJLUABKS-UHFFFAOYSA-N
XLogP2.61
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzoxazol-2-amine?
The IUPAC name of 6-fluoro-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzoxazol-2-amine (CID 126916907) is 6-fluoro-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 6-fluoro-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 6-fluoro-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzoxazol-2-amine is Cc1ccc(N2CC(CNc3nc4ccc(F)cc4o3)C2)nn1.
What is the InChIKey of 6-fluoro-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzoxazol-2-amine?
The InChIKey is SSMLBCSJLUABKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O/c1-10-2-5-15(21-20-10)22-8-11(9-22)7-18-16-19-13-4-3-12(17)6-14(13)23-16/h2-6,11H,7-9H2,1H3,(H,18,19).
What are the key properties of 6-fluoro-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzoxazol-2-amine?
6-fluoro-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzoxazol-2-amine has a molecular weight of 313.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 126916907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).