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

C19H23FN2O4 — CID 75536244

IUPACN-[[(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]propanamide
SMILESCCC(=O)NC[C@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O
InChIInChI=1S/C19H23FN2O4/c1-2-19(24)21-11-18-16(23)8-7-15(25-18)9-14-10-17(26-22-14)12-3-5-13(20)6-4-12/h3-6,10,15-16,18,23H,2,7-9,11H2,1H3,(H,21,24)/t15-,16-,18+/m0/s1
InChIKeyGHONXTHBNDXNCL-XYJFISCASA-N
MW362.40 g/mol
LogP2.46
Rot. Bonds6

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

N-[[(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]propanamide (PubChem CID 75536244) has the molecular formula C19H23FN2O4 and a molecular weight of 362.40 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]propanamide.

Molecular Properties

Compound NameN-[[(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]propanamide
PubChem CID75536244
Molecular FormulaC19H23FN2O4
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC NameN-[[(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]propanamide
SMILESCCC(=O)NC[C@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O
InChIInChI=1S/C19H23FN2O4/c1-2-19(24)21-11-18-16(23)8-7-15(25-18)9-14-10-17(26-22-14)12-3-5-13(20)6-4-12/h3-6,10,15-16,18,23H,2,7-9,11H2,1H3,(H,21,24)/t15-,16-,18+/m0/s1
InChIKeyGHONXTHBNDXNCL-XYJFISCASA-N
XLogP2.46
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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]propanamide?
The IUPAC name of N-[[(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]propanamide (CID 75536244) is N-[[(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]propanamide.
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]propanamide?
The canonical SMILES for N-[[(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]propanamide is CCC(=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]propanamide?
The InChIKey is GHONXTHBNDXNCL-XYJFISCASA-N. The full InChI is InChI=1S/C19H23FN2O4/c1-2-19(24)21-11-18-16(23)8-7-15(25-18)9-14-10-17(26-22-14)12-3-5-13(20)6-4-12/h3-6,10,15-16,18,23H,2,7-9,11H2,1H3,(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]propanamide?
N-[[(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]propanamide has a molecular weight of 362.40 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 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]propanamide is sourced from PubChem (CID 75536244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).