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

C14H18FN3O3 — CID 67359017

IUPAC[3-amino-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-5-yl]methanol
SMILESC[C@@H]1CN(c2c(CO)cc3c(N)noc3c2F)C[C@H](C)O1
InChIInChI=1S/C14H18FN3O3/c1-7-4-18(5-8(2)20-7)12-9(6-19)3-10-13(11(12)15)21-17-14(10)16/h3,7-8,19H,4-6H2,1-2H3,(H2,16,17)/t7-,8+
InChIKeyGRSTVKUBZYXSAB-OCAPTIKFSA-N
MW295.31 g/mol
LogP1.65
Rot. Bonds2

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

[3-amino-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-5-yl]methanol (PubChem CID 67359017) has the molecular formula C14H18FN3O3 and a molecular weight of 295.31 g/mol. Its IUPAC name is [3-amino-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-amino-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-5-yl]methanol
PubChem CID67359017
Molecular FormulaC14H18FN3O3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name[3-amino-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-5-yl]methanol
SMILESC[C@@H]1CN(c2c(CO)cc3c(N)noc3c2F)C[C@H](C)O1
InChIInChI=1S/C14H18FN3O3/c1-7-4-18(5-8(2)20-7)12-9(6-19)3-10-13(11(12)15)21-17-14(10)16/h3,7-8,19H,4-6H2,1-2H3,(H2,16,17)/t7-,8+
InChIKeyGRSTVKUBZYXSAB-OCAPTIKFSA-N
XLogP1.65
TPSA84.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-amino-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-5-yl]methanol?
The IUPAC name of [3-amino-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-5-yl]methanol (CID 67359017) is [3-amino-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-5-yl]methanol.
What is the SMILES notation for [3-amino-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-5-yl]methanol?
The canonical SMILES for [3-amino-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-5-yl]methanol is C[C@@H]1CN(c2c(CO)cc3c(N)noc3c2F)C[C@H](C)O1.
What is the InChIKey of [3-amino-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-5-yl]methanol?
The InChIKey is GRSTVKUBZYXSAB-OCAPTIKFSA-N. The full InChI is InChI=1S/C14H18FN3O3/c1-7-4-18(5-8(2)20-7)12-9(6-19)3-10-13(11(12)15)21-17-14(10)16/h3,7-8,19H,4-6H2,1-2H3,(H2,16,17)/t7-,8+.
What are the key properties of [3-amino-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-5-yl]methanol?
[3-amino-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-5-yl]methanol has a molecular weight of 295.31 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-5-yl]methanol is sourced from PubChem (CID 67359017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).