3-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide

C16H18FN3O3 — CID 17096085

IUPAC3-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(-c2ccccc2F)no1
InChIInChI=1S/C16H18FN3O3/c17-13-4-2-1-3-12(13)14-11-15(23-19-14)16(21)18-5-6-20-7-9-22-10-8-20/h1-4,11H,5-10H2,(H,18,21)
InChIKeyOBOUSZCSUHAYHH-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.54
Rot. Bonds5

About 3-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide

3-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide (PubChem CID 17096085) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide
PubChem CID17096085
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name3-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(-c2ccccc2F)no1
InChIInChI=1S/C16H18FN3O3/c17-13-4-2-1-3-12(13)14-11-15(23-19-14)16(21)18-5-6-20-7-9-22-10-8-20/h1-4,11H,5-10H2,(H,18,21)
InChIKeyOBOUSZCSUHAYHH-UHFFFAOYSA-N
XLogP1.54
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide (CID 17096085) is 3-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide is O=C(NCCN1CCOCC1)c1cc(-c2ccccc2F)no1.
What is the InChIKey of 3-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is OBOUSZCSUHAYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c17-13-4-2-1-3-12(13)14-11-15(23-19-14)16(21)18-5-6-20-7-9-22-10-8-20/h1-4,11H,5-10H2,(H,18,21).
What are the key properties of 3-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide?
3-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17096085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).