3-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methylamino]propane-1,2-diol

C19H25FN2O5 — CID 162790033

IUPAC3-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methylamino]propane-1,2-diol
SMILESOCC(O)CNCC1OC(Cc2cc(-c3ccc(F)cc3)on2)CCC1O
InChIInChI=1S/C19H25FN2O5/c20-13-3-1-12(2-4-13)18-8-14(22-27-18)7-16-5-6-17(25)19(26-16)10-21-9-15(24)11-23/h1-4,8,15-17,19,21,23-25H,5-7,9-11H2
InChIKeyFPWXBMGMPKHOIB-UHFFFAOYSA-N
MW380.42 g/mol
LogP0.87
Rot. Bonds8

About 3-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methylamino]propane-1,2-diol

3-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methylamino]propane-1,2-diol (PubChem CID 162790033) has the molecular formula C19H25FN2O5 and a molecular weight of 380.42 g/mol. Its IUPAC name is 3-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methylamino]propane-1,2-diol
PubChem CID162790033
Molecular FormulaC19H25FN2O5
Molecular Weight380.42 g/mol
Exact Mass380.17
IUPAC Name3-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methylamino]propane-1,2-diol
SMILESOCC(O)CNCC1OC(Cc2cc(-c3ccc(F)cc3)on2)CCC1O
InChIInChI=1S/C19H25FN2O5/c20-13-3-1-12(2-4-13)18-8-14(22-27-18)7-16-5-6-17(25)19(26-16)10-21-9-15(24)11-23/h1-4,8,15-17,19,21,23-25H,5-7,9-11H2
InChIKeyFPWXBMGMPKHOIB-UHFFFAOYSA-N
XLogP0.87
TPSA107.98 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 50.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methylamino]propane-1,2-diol?
The IUPAC name of 3-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methylamino]propane-1,2-diol (CID 162790033) is 3-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methylamino]propane-1,2-diol?
The canonical SMILES for 3-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methylamino]propane-1,2-diol is OCC(O)CNCC1OC(Cc2cc(-c3ccc(F)cc3)on2)CCC1O.
What is the InChIKey of 3-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methylamino]propane-1,2-diol?
The InChIKey is FPWXBMGMPKHOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O5/c20-13-3-1-12(2-4-13)18-8-14(22-27-18)7-16-5-6-17(25)19(26-16)10-21-9-15(24)11-23/h1-4,8,15-17,19,21,23-25H,5-7,9-11H2.
What are the key properties of 3-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methylamino]propane-1,2-diol?
3-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methylamino]propane-1,2-diol has a molecular weight of 380.42 g/mol, XLogP of 0.87, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methylamino]propane-1,2-diol is sourced from PubChem (CID 162790033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).