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

C19H22FN3O4 — CID 67356739

IUPAC[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1,2-benzoxazol-5-yl]methanol
SMILESCc1noc(C)c1-c1noc2c(F)c(N3C[C@@H](C)O[C@@H](C)C3)c(CO)cc12
InChIInChI=1S/C19H22FN3O4/c1-9-6-23(7-10(2)25-9)18-13(8-24)5-14-17(22-27-19(14)16(18)20)15-11(3)21-26-12(15)4/h5,9-10,24H,6-8H2,1-4H3/t9-,10+
InChIKeyZSDHEIZHOUTPEV-AOOOYVTPSA-N
MW375.40 g/mol
LogP3.34
Rot. Bonds3

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

[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1,2-benzoxazol-5-yl]methanol (PubChem CID 67356739) has the molecular formula C19H22FN3O4 and a molecular weight of 375.40 g/mol. Its IUPAC name is [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1,2-benzoxazol-5-yl]methanol.

Molecular Properties

Compound Name[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1,2-benzoxazol-5-yl]methanol
PubChem CID67356739
Molecular FormulaC19H22FN3O4
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC Name[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1,2-benzoxazol-5-yl]methanol
SMILESCc1noc(C)c1-c1noc2c(F)c(N3C[C@@H](C)O[C@@H](C)C3)c(CO)cc12
InChIInChI=1S/C19H22FN3O4/c1-9-6-23(7-10(2)25-9)18-13(8-24)5-14-17(22-27-19(14)16(18)20)15-11(3)21-26-12(15)4/h5,9-10,24H,6-8H2,1-4H3/t9-,10+
InChIKeyZSDHEIZHOUTPEV-AOOOYVTPSA-N
XLogP3.34
TPSA84.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1,2-benzoxazol-5-yl]methanol?
The IUPAC name of [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1,2-benzoxazol-5-yl]methanol (CID 67356739) is [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1,2-benzoxazol-5-yl]methanol.
What is the SMILES notation for [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1,2-benzoxazol-5-yl]methanol?
The canonical SMILES for [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1,2-benzoxazol-5-yl]methanol is Cc1noc(C)c1-c1noc2c(F)c(N3C[C@@H](C)O[C@@H](C)C3)c(CO)cc12.
What is the InChIKey of [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1,2-benzoxazol-5-yl]methanol?
The InChIKey is ZSDHEIZHOUTPEV-AOOOYVTPSA-N. The full InChI is InChI=1S/C19H22FN3O4/c1-9-6-23(7-10(2)25-9)18-13(8-24)5-14-17(22-27-19(14)16(18)20)15-11(3)21-26-12(15)4/h5,9-10,24H,6-8H2,1-4H3/t9-,10+.
What are the key properties of [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1,2-benzoxazol-5-yl]methanol?
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1,2-benzoxazol-5-yl]methanol has a molecular weight of 375.40 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1,2-benzoxazol-5-yl]methanol is sourced from PubChem (CID 67356739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).