ethyl (5S)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate

C24H25FN4O5 — CID 177094829

IUPACethyl (5S)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)[C@@]1(c2ccon2)CN=C(Nc2c(-c3ccnc(OC)c3)cc(F)cc2C(C)C)O1
InChIInChI=1S/C24H25FN4O5/c1-5-32-22(30)24(19-7-9-33-29-19)13-27-23(34-24)28-21-17(14(2)3)11-16(25)12-18(21)15-6-8-26-20(10-15)31-4/h6-12,14H,5,13H2,1-4H3,(H,27,28)/t24-/m0/s1
InChIKeyCNJHPEWSVQBTNF-DEOSSOPVSA-N
MW468.49 g/mol
LogP4.26
Rot. Bonds7

About ethyl (5S)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate

ethyl (5S)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate (PubChem CID 177094829) has the molecular formula C24H25FN4O5 and a molecular weight of 468.49 g/mol. Its IUPAC name is ethyl (5S)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl (5S)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate
PubChem CID177094829
Molecular FormulaC24H25FN4O5
Molecular Weight468.49 g/mol
Exact Mass468.18
IUPAC Nameethyl (5S)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)[C@@]1(c2ccon2)CN=C(Nc2c(-c3ccnc(OC)c3)cc(F)cc2C(C)C)O1
InChIInChI=1S/C24H25FN4O5/c1-5-32-22(30)24(19-7-9-33-29-19)13-27-23(34-24)28-21-17(14(2)3)11-16(25)12-18(21)15-6-8-26-20(10-15)31-4/h6-12,14H,5,13H2,1-4H3,(H,27,28)/t24-/m0/s1
InChIKeyCNJHPEWSVQBTNF-DEOSSOPVSA-N
XLogP4.26
TPSA108.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.49
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl (5S)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2,3-diethyl-6-(2-methoxy-4-pyridinyl)-5-methylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid
CID 168951163
2-[[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid
CID 168951209
2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1,3-oxazol-2-yl)acetamide
CID 164724252
2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetic acid;2,2,2-trifluoroacetic acid
CID 175839241
N-(4,5-dimethylthiophen-2-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
CID 155463985
1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-phenylethylsulfonyl)urea
CID 150340312
benzenesulfonamide;N-(benzenesulfonyl)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetic acid
CID 159403926
5-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]sulfonyl-N-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-1H-1,2,4-triazol-3-amine
CID 150762948
4-chlorobenzenesulfonamide;N-(4-chlorophenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetic acid
CID 160866071
2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylacetamide
CID 155463757
N-[3-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
CID 155464142
4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,3-dimethylbenzamide
CID 155464125

Frequently Asked Questions

What is the IUPAC name of ethyl (5S)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl (5S)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate (CID 177094829) is ethyl (5S)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl (5S)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl (5S)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate is CCOC(=O)[C@@]1(c2ccon2)CN=C(Nc2c(-c3ccnc(OC)c3)cc(F)cc2C(C)C)O1.
What is the InChIKey of ethyl (5S)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate?
The InChIKey is CNJHPEWSVQBTNF-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H25FN4O5/c1-5-32-22(30)24(19-7-9-33-29-19)13-27-23(34-24)28-21-17(14(2)3)11-16(25)12-18(21)15-6-8-26-20(10-15)31-4/h6-12,14H,5,13H2,1-4H3,(H,27,28)/t24-/m0/s1.
What are the key properties of ethyl (5S)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate?
ethyl (5S)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate has a molecular weight of 468.49 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5S)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 177094829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).