[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrazin-2-yl-1,2-benzoxazol-5-yl]methanol

C18H19FN4O3 — CID 67356780

IUPAC[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrazin-2-yl-1,2-benzoxazol-5-yl]methanol
SMILESC[C@@H]1CN(c2c(CO)cc3c(-c4cnccn4)noc3c2F)C[C@@H](C)O1
InChIInChI=1S/C18H19FN4O3/c1-10-7-23(8-11(2)25-10)17-12(9-24)5-13-16(14-6-20-3-4-21-14)22-26-18(13)15(17)19/h3-6,10-11,24H,7-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyHYTPWIVBNAWCEP-GHMZBOCLSA-N
MW358.37 g/mol
LogP2.53
Rot. Bonds3

About [6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrazin-2-yl-1,2-benzoxazol-5-yl]methanol

[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrazin-2-yl-1,2-benzoxazol-5-yl]methanol (PubChem CID 67356780) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is [6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrazin-2-yl-1,2-benzoxazol-5-yl]methanol.

Molecular Properties

Compound Name[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrazin-2-yl-1,2-benzoxazol-5-yl]methanol
PubChem CID67356780
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrazin-2-yl-1,2-benzoxazol-5-yl]methanol
SMILESC[C@@H]1CN(c2c(CO)cc3c(-c4cnccn4)noc3c2F)C[C@@H](C)O1
InChIInChI=1S/C18H19FN4O3/c1-10-7-23(8-11(2)25-10)17-12(9-24)5-13-16(14-6-20-3-4-21-14)22-26-18(13)15(17)19/h3-6,10-11,24H,7-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyHYTPWIVBNAWCEP-GHMZBOCLSA-N
XLogP2.53
TPSA84.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrazin-2-yl-1,2-benzoxazol-5-yl]methanol?
The IUPAC name of [6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrazin-2-yl-1,2-benzoxazol-5-yl]methanol (CID 67356780) is [6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrazin-2-yl-1,2-benzoxazol-5-yl]methanol.
What is the SMILES notation for [6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrazin-2-yl-1,2-benzoxazol-5-yl]methanol?
The canonical SMILES for [6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrazin-2-yl-1,2-benzoxazol-5-yl]methanol is C[C@@H]1CN(c2c(CO)cc3c(-c4cnccn4)noc3c2F)C[C@@H](C)O1.
What is the InChIKey of [6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrazin-2-yl-1,2-benzoxazol-5-yl]methanol?
The InChIKey is HYTPWIVBNAWCEP-GHMZBOCLSA-N. The full InChI is InChI=1S/C18H19FN4O3/c1-10-7-23(8-11(2)25-10)17-12(9-24)5-13-16(14-6-20-3-4-21-14)22-26-18(13)15(17)19/h3-6,10-11,24H,7-9H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of [6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrazin-2-yl-1,2-benzoxazol-5-yl]methanol?
[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrazin-2-yl-1,2-benzoxazol-5-yl]methanol has a molecular weight of 358.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrazin-2-yl-1,2-benzoxazol-5-yl]methanol is sourced from PubChem (CID 67356780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).