N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-5-fluoro-1,3-benzoxazol-2-amine

C19H19F2N3O2 — CID 167866745

IUPACN-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-5-fluoro-1,3-benzoxazol-2-amine
SMILESC[C@@H]1CN(c2cc(F)cc(Nc3nc4cc(F)ccc4o3)c2)C[C@H](C)O1
InChIInChI=1S/C19H19F2N3O2/c1-11-9-24(10-12(2)25-11)16-6-14(21)5-15(8-16)22-19-23-17-7-13(20)3-4-18(17)26-19/h3-8,11-12H,9-10H2,1-2H3,(H,22,23)/t11-,12+
InChIKeyOLRYKRYZBKMEJI-TXEJJXNPSA-N
MW359.38 g/mol
LogP4.46
Rot. Bonds3

About N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-5-fluoro-1,3-benzoxazol-2-amine

N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-5-fluoro-1,3-benzoxazol-2-amine (PubChem CID 167866745) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-5-fluoro-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-5-fluoro-1,3-benzoxazol-2-amine
PubChem CID167866745
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC NameN-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-5-fluoro-1,3-benzoxazol-2-amine
SMILESC[C@@H]1CN(c2cc(F)cc(Nc3nc4cc(F)ccc4o3)c2)C[C@H](C)O1
InChIInChI=1S/C19H19F2N3O2/c1-11-9-24(10-12(2)25-11)16-6-14(21)5-15(8-16)22-19-23-17-7-13(20)3-4-18(17)26-19/h3-8,11-12H,9-10H2,1-2H3,(H,22,23)/t11-,12+
InChIKeyOLRYKRYZBKMEJI-TXEJJXNPSA-N
XLogP4.46
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-5-fluoro-1,3-benzoxazol-2-amine with MolForge

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Related Compounds

N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5-ethylsulfonyl-1,3-benzoxazol-2-amine
CID 57328464
5-(azetidin-1-ylmethyl)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine
CID 171810679
trans-(1S,2S)-2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol
CID 164633039
N-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-amine
CID 171810701
[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazol-5-yl]methanol
CID 171810699
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-5-fluoro-1,3-benzoxazol-2-amine
CID 126917998
N-[4-[[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoroanilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 59231152
1-(5-fluoro-1,3-benzoxazol-2-yl)-3-methylpiperidin-4-one
CID 133497405
N-[[3-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine
CID 106532067
(2R)-2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-3-methylbutanoic acid
CID 122050836
2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1,3-benzoxazole
CID 133330508
[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1,3-benzoxazol-4-yl]methanol
CID 176936372

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-5-fluoro-1,3-benzoxazol-2-amine?
The IUPAC name of N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-5-fluoro-1,3-benzoxazol-2-amine (CID 167866745) is N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-5-fluoro-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-5-fluoro-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-5-fluoro-1,3-benzoxazol-2-amine is C[C@@H]1CN(c2cc(F)cc(Nc3nc4cc(F)ccc4o3)c2)C[C@H](C)O1.
What is the InChIKey of N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-5-fluoro-1,3-benzoxazol-2-amine?
The InChIKey is OLRYKRYZBKMEJI-TXEJJXNPSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c1-11-9-24(10-12(2)25-11)16-6-14(21)5-15(8-16)22-19-23-17-7-13(20)3-4-18(17)26-19/h3-8,11-12H,9-10H2,1-2H3,(H,22,23)/t11-,12+.
What are the key properties of N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-5-fluoro-1,3-benzoxazol-2-amine?
N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-5-fluoro-1,3-benzoxazol-2-amine has a molecular weight of 359.38 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-5-fluoro-1,3-benzoxazol-2-amine is sourced from PubChem (CID 167866745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).