3-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-propyl-1,2-oxazole-5-carboxamide

C18H18FN3O5 — CID 67492440

IUPAC3-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-propyl-1,2-oxazole-5-carboxamide
SMILESCCCNC(=O)c1cc(OCc2c(-c3ccc(F)cc3)noc2CO)no1
InChIInChI=1S/C18H18FN3O5/c1-2-7-20-18(24)14-8-16(21-26-14)25-10-13-15(9-23)27-22-17(13)11-3-5-12(19)6-4-11/h3-6,8,23H,2,7,9-10H2,1H3,(H,20,24)
InChIKeyOSYPMRXAUARWIE-UHFFFAOYSA-N
MW375.36 g/mol
LogP2.68
Rot. Bonds8

About 3-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-propyl-1,2-oxazole-5-carboxamide

3-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-propyl-1,2-oxazole-5-carboxamide (PubChem CID 67492440) has the molecular formula C18H18FN3O5 and a molecular weight of 375.36 g/mol. Its IUPAC name is 3-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-propyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-propyl-1,2-oxazole-5-carboxamide
PubChem CID67492440
Molecular FormulaC18H18FN3O5
Molecular Weight375.36 g/mol
Exact Mass375.12
IUPAC Name3-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-propyl-1,2-oxazole-5-carboxamide
SMILESCCCNC(=O)c1cc(OCc2c(-c3ccc(F)cc3)noc2CO)no1
InChIInChI=1S/C18H18FN3O5/c1-2-7-20-18(24)14-8-16(21-26-14)25-10-13-15(9-23)27-22-17(13)11-3-5-12(19)6-4-11/h3-6,8,23H,2,7,9-10H2,1H3,(H,20,24)
InChIKeyOSYPMRXAUARWIE-UHFFFAOYSA-N
XLogP2.68
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-propyl-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-propyl-1,2-oxazole-5-carboxamide (CID 67492440) is 3-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-propyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-propyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-propyl-1,2-oxazole-5-carboxamide is CCCNC(=O)c1cc(OCc2c(-c3ccc(F)cc3)noc2CO)no1.
What is the InChIKey of 3-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-propyl-1,2-oxazole-5-carboxamide?
The InChIKey is OSYPMRXAUARWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O5/c1-2-7-20-18(24)14-8-16(21-26-14)25-10-13-15(9-23)27-22-17(13)11-3-5-12(19)6-4-11/h3-6,8,23H,2,7,9-10H2,1H3,(H,20,24).
What are the key properties of 3-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-propyl-1,2-oxazole-5-carboxamide?
3-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-propyl-1,2-oxazole-5-carboxamide has a molecular weight of 375.36 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-propyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 67492440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).