[1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate

C14H13FN2O4 — CID 18199682

IUPAC[1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)OC(C)C(=O)Nc2ccc(F)cc2)on1
InChIInChI=1S/C14H13FN2O4/c1-8-7-12(21-17-8)14(19)20-9(2)13(18)16-11-5-3-10(15)4-6-11/h3-7,9H,1-2H3,(H,16,18)
InChIKeyHZIQPOJTJDVJTG-UHFFFAOYSA-N
MW292.27 g/mol
LogP2.31
Rot. Bonds4

About [1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate

[1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate (PubChem CID 18199682) has the molecular formula C14H13FN2O4 and a molecular weight of 292.27 g/mol. Its IUPAC name is [1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name[1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
PubChem CID18199682
Molecular FormulaC14H13FN2O4
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC Name[1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)OC(C)C(=O)Nc2ccc(F)cc2)on1
InChIInChI=1S/C14H13FN2O4/c1-8-7-12(21-17-8)14(19)20-9(2)13(18)16-11-5-3-10(15)4-6-11/h3-7,9H,1-2H3,(H,16,18)
InChIKeyHZIQPOJTJDVJTG-UHFFFAOYSA-N
XLogP2.31
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 9383653
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737661
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 94874116
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 8507634
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] furan-2-carboxylate
CID 7486717
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 18199684
[1-(4-fluoroanilino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 18078044
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 7478239
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7508676
4-O-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296570
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(4-fluorophenyl)furan-2-carboxylate
CID 17480605
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 7782483

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate?
The IUPAC name of [1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate (CID 18199682) is [1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate.
What is the SMILES notation for [1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate?
The canonical SMILES for [1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate is Cc1cc(C(=O)OC(C)C(=O)Nc2ccc(F)cc2)on1.
What is the InChIKey of [1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate?
The InChIKey is HZIQPOJTJDVJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4/c1-8-7-12(21-17-8)14(19)20-9(2)13(18)16-11-5-3-10(15)4-6-11/h3-7,9H,1-2H3,(H,16,18).
What are the key properties of [1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate?
[1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate has a molecular weight of 292.27 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 18199682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).