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

C16H18FN3O3 — CID 3236843

IUPAC5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C16H18FN3O3/c17-13-3-1-12(2-4-13)15-11-14(19-23-15)16(21)18-5-6-20-7-9-22-10-8-20/h1-4,11H,5-10H2,(H,18,21)
InChIKeyXLLYKXKCIKZHEP-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.54
Rot. Bonds5

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

5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 3236843) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
PubChem CID3236843
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C16H18FN3O3/c17-13-3-1-12(2-4-13)15-11-14(19-23-15)16(21)18-5-6-20-7-9-22-10-8-20/h1-4,11H,5-10H2,(H,18,21)
InChIKeyXLLYKXKCIKZHEP-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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Related Compounds

N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093781
Morpholin-4-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093793
4-{[5-(4-Methoxyphenyl)-1,2-oxazol-3-yl]carbonyl}morpholine
CID 17252835
ethyl (2E,4S)-4-[(2S)-3-(4-fluorophenyl)-2-[(2S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)formamido]butanamido]propanamido]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 6476897
5-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 3243805
(1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-methyl-isoxazole-3-carbonyl)-amino]-2-oxo-2H-pyridin-1-yl}-propionylamino)-5-(2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid ethyl ester
CID 6477670
(E)-(S)-4-{(2R,5S)-2-(4-Fluoro-benzyl)-6-methyl-5-[(5-methyl-isoxazole-3-carbonyl)-amino]-4-oxo-heptanoylamino}-5-((S)-2-oxo-piperidin-3-yl)-pent-2-enoic acid ethyl ester
CID 6478231
Tert-butyl 3-(3-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)isoxazol-5-yl)phenylcarbamate
CID 24951312
Azepan-1-yl-(5-phenyl-isoxazol-3-yl)-methanone
CID 1093742
N-cyclohexyl-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 1093785
Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093787
5-(2-chlorophenyl)-N-cyclohexyl-3-isoxazolecarboxamide
CID 1093865

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide (CID 3236843) is 5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide is O=C(NCCN1CCOCC1)c1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is XLLYKXKCIKZHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c17-13-3-1-12(2-4-13)15-11-14(19-23-15)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 5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide?
5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-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 5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3236843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).