6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyridazin-3-yl-1,2-benzoxazole

C17H17FN4O2 — CID 141266264

IUPAC6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyridazin-3-yl-1,2-benzoxazole
SMILESC[C@@H]1CN(c2ccc3c(-c4cccnn4)noc3c2F)C[C@H](C)O1
InChIInChI=1S/C17H17FN4O2/c1-10-8-22(9-11(2)23-10)14-6-5-12-16(13-4-3-7-19-20-13)21-24-17(12)15(14)18/h3-7,10-11H,8-9H2,1-2H3/t10-,11+
InChIKeyQKGUOVDLJXOXQS-PHIMTYICSA-N
MW328.35 g/mol
LogP3.04
Rot. Bonds2

About 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyridazin-3-yl-1,2-benzoxazole

6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyridazin-3-yl-1,2-benzoxazole (PubChem CID 141266264) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyridazin-3-yl-1,2-benzoxazole.

Molecular Properties

Compound Name6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyridazin-3-yl-1,2-benzoxazole
PubChem CID141266264
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyridazin-3-yl-1,2-benzoxazole
SMILESC[C@@H]1CN(c2ccc3c(-c4cccnn4)noc3c2F)C[C@H](C)O1
InChIInChI=1S/C17H17FN4O2/c1-10-8-22(9-11(2)23-10)14-6-5-12-16(13-4-3-7-19-20-13)21-24-17(12)15(14)18/h3-7,10-11H,8-9H2,1-2H3/t10-,11+
InChIKeyQKGUOVDLJXOXQS-PHIMTYICSA-N
XLogP3.04
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(1H-pyrazol-4-yl)-1,2-benzoxazole
CID 141266261
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-N-methyl-N-propyl-1,2-benzoxazol-3-amine
CID 141266263
6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-7-fluoro-3-methyl-1,2-benzoxazole
CID 141266246
N-(cyclohexylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-3-amine
CID 141266232
(2S,6R)-4-(7-fluoro-3-pyridin-2-yl-1,2-benzothiazol-6-yl)-2,6-dimethylmorpholine
CID 141266277
7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyrimidin-5-yl-1,2-benzoxazole
CID 141266260
7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridin-2-yl-1,2-benzoxazole-5-carbaldehyde
CID 91052837
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrimidin-2-yl-1,2-benzoxazol-5-yl]methanol
CID 67358403
[6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(1-methylimidazol-4-yl)-1,2-benzoxazol-5-yl]methanol
CID 77272708
4-[(2R)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-N-methylaniline
CID 70839117
8-(2,6-dimethylmorpholin-4-yl)quinolin-5-amine
CID 43450053
6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(triazol-2-yl)-1,2-benzoxazole-5-carbaldehyde
CID 91462461

Frequently Asked Questions

What is the IUPAC name of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyridazin-3-yl-1,2-benzoxazole?
The IUPAC name of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyridazin-3-yl-1,2-benzoxazole (CID 141266264) is 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyridazin-3-yl-1,2-benzoxazole.
What is the SMILES notation for 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyridazin-3-yl-1,2-benzoxazole?
The canonical SMILES for 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyridazin-3-yl-1,2-benzoxazole is C[C@@H]1CN(c2ccc3c(-c4cccnn4)noc3c2F)C[C@H](C)O1.
What is the InChIKey of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyridazin-3-yl-1,2-benzoxazole?
The InChIKey is QKGUOVDLJXOXQS-PHIMTYICSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-10-8-22(9-11(2)23-10)14-6-5-12-16(13-4-3-7-19-20-13)21-24-17(12)15(14)18/h3-7,10-11H,8-9H2,1-2H3/t10-,11+.
What are the key properties of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyridazin-3-yl-1,2-benzoxazole?
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyridazin-3-yl-1,2-benzoxazole has a molecular weight of 328.35 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyridazin-3-yl-1,2-benzoxazole is sourced from PubChem (CID 141266264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).