2-ethyl-N-[(2S)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide

C17H20FN3O3 — CID 95198349

IUPAC2-ethyl-N-[(2S)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N[C@@H](C)C(=O)Nc2ccc(F)cc2C)o1
InChIInChI=1S/C17H20FN3O3/c1-5-14-19-10(3)15(24-14)17(23)20-11(4)16(22)21-13-7-6-12(18)8-9(13)2/h6-8,11H,5H2,1-4H3,(H,20,23)(H,21,22)/t11-/m0/s1
InChIKeyXYARAJIZFDBMRB-NSHDSACASA-N
MW333.36 g/mol
LogP2.75
Rot. Bonds5

About 2-ethyl-N-[(2S)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide

2-ethyl-N-[(2S)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 95198349) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 2-ethyl-N-[(2S)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(2S)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID95198349
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name2-ethyl-N-[(2S)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N[C@@H](C)C(=O)Nc2ccc(F)cc2C)o1
InChIInChI=1S/C17H20FN3O3/c1-5-14-19-10(3)15(24-14)17(23)20-11(4)16(22)21-13-7-6-12(18)8-9(13)2/h6-8,11H,5H2,1-4H3,(H,20,23)(H,21,22)/t11-/m0/s1
InChIKeyXYARAJIZFDBMRB-NSHDSACASA-N
XLogP2.75
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2S)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-[(2S)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide (CID 95198349) is 2-ethyl-N-[(2S)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(2S)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[(2S)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)N[C@@H](C)C(=O)Nc2ccc(F)cc2C)o1.
What is the InChIKey of 2-ethyl-N-[(2S)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is XYARAJIZFDBMRB-NSHDSACASA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-5-14-19-10(3)15(24-14)17(23)20-11(4)16(22)21-13-7-6-12(18)8-9(13)2/h6-8,11H,5H2,1-4H3,(H,20,23)(H,21,22)/t11-/m0/s1.
What are the key properties of 2-ethyl-N-[(2S)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide?
2-ethyl-N-[(2S)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2S)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 95198349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).