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

C19H23FN4O4 — CID 67356946

IUPAC[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]-1,2-benzoxazol-5-yl]methanol
SMILESCc1cc(CNc2noc3c(F)c(N4C[C@@H](C)O[C@@H](C)C4)c(CO)cc23)no1
InChIInChI=1S/C19H23FN4O4/c1-10-4-14(22-27-10)6-21-19-15-5-13(9-25)17(16(20)18(15)28-23-19)24-7-11(2)26-12(3)8-24/h4-5,11-12,25H,6-9H2,1-3H3,(H,21,23)/t11-,12+
InChIKeyKVKGIVYBTMRNDE-TXEJJXNPSA-N
MW390.42 g/mol
LogP2.98
Rot. Bonds5

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

[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]-1,2-benzoxazol-5-yl]methanol (PubChem CID 67356946) has the molecular formula C19H23FN4O4 and a molecular weight of 390.42 g/mol. Its IUPAC name is [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]-1,2-benzoxazol-5-yl]methanol.

Molecular Properties

Compound Name[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]-1,2-benzoxazol-5-yl]methanol
PubChem CID67356946
Molecular FormulaC19H23FN4O4
Molecular Weight390.42 g/mol
Exact Mass390.17
IUPAC Name[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]-1,2-benzoxazol-5-yl]methanol
SMILESCc1cc(CNc2noc3c(F)c(N4C[C@@H](C)O[C@@H](C)C4)c(CO)cc23)no1
InChIInChI=1S/C19H23FN4O4/c1-10-4-14(22-27-10)6-21-19-15-5-13(9-25)17(16(20)18(15)28-23-19)24-7-11(2)26-12(3)8-24/h4-5,11-12,25H,6-9H2,1-3H3,(H,21,23)/t11-,12+
InChIKeyKVKGIVYBTMRNDE-TXEJJXNPSA-N
XLogP2.98
TPSA96.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]-1,2-benzoxazol-5-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]-1,2-benzoxazol-5-yl]methanol?
The IUPAC name of [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]-1,2-benzoxazol-5-yl]methanol (CID 67356946) is [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]-1,2-benzoxazol-5-yl]methanol.
What is the SMILES notation for [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]-1,2-benzoxazol-5-yl]methanol?
The canonical SMILES for [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]-1,2-benzoxazol-5-yl]methanol is Cc1cc(CNc2noc3c(F)c(N4C[C@@H](C)O[C@@H](C)C4)c(CO)cc23)no1.
What is the InChIKey of [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]-1,2-benzoxazol-5-yl]methanol?
The InChIKey is KVKGIVYBTMRNDE-TXEJJXNPSA-N. The full InChI is InChI=1S/C19H23FN4O4/c1-10-4-14(22-27-10)6-21-19-15-5-13(9-25)17(16(20)18(15)28-23-19)24-7-11(2)26-12(3)8-24/h4-5,11-12,25H,6-9H2,1-3H3,(H,21,23)/t11-,12+.
What are the key properties of [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]-1,2-benzoxazol-5-yl]methanol?
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]-1,2-benzoxazol-5-yl]methanol has a molecular weight of 390.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]-1,2-benzoxazol-5-yl]methanol is sourced from PubChem (CID 67356946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).