5-amino-N-(4-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide

C11H10FN3O2 — CID 1263621

IUPAC5-amino-N-(4-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(N)c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H10FN3O2/c1-6-9(10(13)17-15-6)11(16)14-8-4-2-7(12)3-5-8/h2-5H,13H2,1H3,(H,14,16)
InChIKeyNNRCABOYOAKUFB-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.96
Rot. Bonds2

About 5-amino-N-(4-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide

5-amino-N-(4-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 1263621) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 5-amino-N-(4-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID1263621
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name5-amino-N-(4-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(N)c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H10FN3O2/c1-6-9(10(13)17-15-6)11(16)14-8-4-2-7(12)3-5-8/h2-5H,13H2,1H3,(H,14,16)
InChIKeyNNRCABOYOAKUFB-UHFFFAOYSA-N
XLogP1.96
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 91343042
5-amino-N-(2-chlorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 10824661
3-ethyl-N-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 9040097
N-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 28780641
N-[2-[(4-fluorophenyl)carbamoyl]-1-benzofuran-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 46300000
N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 770330
3-methyl-5-propan-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-oxazole-4-carboxamide
CID 110622826
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 8507634
5-(1,3-benzodioxol-5-ylmethylamino)-N-(4-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 71694728
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 30780069
N-(4-fluorophenyl)-4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazine-1-carboxamide
CID 37443505
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-amino-N-(4-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide (CID 1263621) is 5-amino-N-(4-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(4-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(4-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide is Cc1noc(N)c1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 5-amino-N-(4-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is NNRCABOYOAKUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-6-9(10(13)17-15-6)11(16)14-8-4-2-7(12)3-5-8/h2-5H,13H2,1H3,(H,14,16).
What are the key properties of 5-amino-N-(4-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide?
5-amino-N-(4-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 235.22 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1263621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).