5-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide

C14H15FN2O3 — CID 110000783

IUPAC5-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C14H15FN2O3/c1-14(2,8-18)16-13(19)11-7-12(20-17-11)9-3-5-10(15)6-4-9/h3-7,18H,8H2,1-2H3,(H,16,19)
InChIKeyQGANJDDGXBYLLB-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.98
Rot. Bonds4

About 5-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide

5-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 110000783) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID110000783
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name5-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C14H15FN2O3/c1-14(2,8-18)16-13(19)11-7-12(20-17-11)9-3-5-10(15)6-4-9/h3-7,18H,8H2,1-2H3,(H,16,19)
InChIKeyQGANJDDGXBYLLB-UHFFFAOYSA-N
XLogP1.98
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
CID 75448483
N-[(2S)-butan-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 41098446
5-(4-fluorophenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide
CID 133149974
5-(4-fluorophenyl)-N-(4-sulfanylbutyl)-1,2-oxazole-3-carboxamide
CID 127025539
1-(1-hydroxy-2-methylpropan-2-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812798
N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 19294420
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 46968640
methyl 5-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]pentanoate
CID 121255246
5-(4-ethoxyphenyl)-N-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 17010994
5-(4-fluorophenyl)-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide
CID 99600147
N-ethyl-5-(4-fluorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
CID 109468168
5-(4-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2-oxazole-3-carboxamide
CID 121255629

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide (CID 110000783) is 5-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide is CC(C)(CO)NC(=O)c1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is QGANJDDGXBYLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-14(2,8-18)16-13(19)11-7-12(20-17-11)9-3-5-10(15)6-4-9/h3-7,18H,8H2,1-2H3,(H,16,19).
What are the key properties of 5-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide?
5-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 278.28 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110000783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).