N-[[(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]-2-methoxyacetamide

C19H23FN2O5 — CID 75536242

IUPACN-[[(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O
InChIInChI=1S/C19H23FN2O5/c1-25-11-19(24)21-10-18-16(23)7-6-15(26-18)8-14-9-17(27-22-14)12-2-4-13(20)5-3-12/h2-5,9,15-16,18,23H,6-8,10-11H2,1H3,(H,21,24)/t15-,16-,18+/m0/s1
InChIKeyKDUDQEKINVLQOT-XYJFISCASA-N
MW378.40 g/mol
LogP1.69
Rot. Bonds7

About N-[[(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]-2-methoxyacetamide

N-[[(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]-2-methoxyacetamide (PubChem CID 75536242) has the molecular formula C19H23FN2O5 and a molecular weight of 378.40 g/mol. Its IUPAC name is N-[[(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]-2-methoxyacetamide
PubChem CID75536242
Molecular FormulaC19H23FN2O5
Molecular Weight378.40 g/mol
Exact Mass378.16
IUPAC NameN-[[(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O
InChIInChI=1S/C19H23FN2O5/c1-25-11-19(24)21-10-18-16(23)7-6-15(26-18)8-14-9-17(27-22-14)12-2-4-13(20)5-3-12/h2-5,9,15-16,18,23H,6-8,10-11H2,1H3,(H,21,24)/t15-,16-,18+/m0/s1
InChIKeyKDUDQEKINVLQOT-XYJFISCASA-N
XLogP1.69
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]-2-methoxyacetamide (CID 75536242) is N-[[(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]-2-methoxyacetamide is COCC(=O)NC[C@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O.
What is the InChIKey of N-[[(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]-2-methoxyacetamide?
The InChIKey is KDUDQEKINVLQOT-XYJFISCASA-N. The full InChI is InChI=1S/C19H23FN2O5/c1-25-11-19(24)21-10-18-16(23)7-6-15(26-18)8-14-9-17(27-22-14)12-2-4-13(20)5-3-12/h2-5,9,15-16,18,23H,6-8,10-11H2,1H3,(H,21,24)/t15-,16-,18+/m0/s1.
What are the key properties of N-[[(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]-2-methoxyacetamide?
N-[[(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]-2-methoxyacetamide has a molecular weight of 378.40 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 75536242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).