6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-7-fluoro-3-methyl-1,2-benzoxazole

C15H19FN2O — CID 141266246

IUPAC6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-7-fluoro-3-methyl-1,2-benzoxazole
SMILESCc1noc2c(F)c(N3C[C@H](C)C[C@H](C)C3)ccc12
InChIInChI=1S/C15H19FN2O/c1-9-6-10(2)8-18(7-9)13-5-4-12-11(3)17-19-15(12)14(13)16/h4-5,9-10H,6-8H2,1-3H3/t9-,10+
InChIKeyQBRFDAVYAHRPAF-AOOOYVTPSA-N
MW262.33 g/mol
LogP3.76
Rot. Bonds1

About 6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-7-fluoro-3-methyl-1,2-benzoxazole

6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-7-fluoro-3-methyl-1,2-benzoxazole (PubChem CID 141266246) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-7-fluoro-3-methyl-1,2-benzoxazole.

Molecular Properties

Compound Name6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-7-fluoro-3-methyl-1,2-benzoxazole
PubChem CID141266246
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-7-fluoro-3-methyl-1,2-benzoxazole
SMILESCc1noc2c(F)c(N3C[C@H](C)C[C@H](C)C3)ccc12
InChIInChI=1S/C15H19FN2O/c1-9-6-10(2)8-18(7-9)13-5-4-12-11(3)17-19-15(12)14(13)16/h4-5,9-10H,6-8H2,1-3H3/t9-,10+
InChIKeyQBRFDAVYAHRPAF-AOOOYVTPSA-N
XLogP3.76
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-7-fluoro-3-methyl-1,2-benzoxazole?
The IUPAC name of 6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-7-fluoro-3-methyl-1,2-benzoxazole (CID 141266246) is 6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-7-fluoro-3-methyl-1,2-benzoxazole.
What is the SMILES notation for 6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-7-fluoro-3-methyl-1,2-benzoxazole?
The canonical SMILES for 6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-7-fluoro-3-methyl-1,2-benzoxazole is Cc1noc2c(F)c(N3C[C@H](C)C[C@H](C)C3)ccc12.
What is the InChIKey of 6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-7-fluoro-3-methyl-1,2-benzoxazole?
The InChIKey is QBRFDAVYAHRPAF-AOOOYVTPSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-9-6-10(2)8-18(7-9)13-5-4-12-11(3)17-19-15(12)14(13)16/h4-5,9-10H,6-8H2,1-3H3/t9-,10+.
What are the key properties of 6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-7-fluoro-3-methyl-1,2-benzoxazole?
6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-7-fluoro-3-methyl-1,2-benzoxazole has a molecular weight of 262.33 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-7-fluoro-3-methyl-1,2-benzoxazole is sourced from PubChem (CID 141266246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).