[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate

C20H21N3O4 — CID 41323417

IUPAC[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)c1C
InChIInChI=1S/C20H21N3O4/c1-5-15-12(3)18(14-8-6-7-9-16(14)21-15)20(25)26-13(4)19(24)22-17-10-11(2)27-23-17/h6-10,13H,5H2,1-4H3,(H,22,23,24)/t13-/m0/s1
InChIKeySSNSIFLKHWOZKD-ZDUSSCGKSA-N
MW367.41 g/mol
LogP3.59
Rot. Bonds5

About [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate

[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate (PubChem CID 41323417) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate
PubChem CID41323417
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)c1C
InChIInChI=1S/C20H21N3O4/c1-5-15-12(3)18(14-8-6-7-9-16(14)21-15)20(25)26-13(4)19(24)22-17-10-11(2)27-23-17/h6-10,13H,5H2,1-4H3,(H,22,23,24)/t13-/m0/s1
InChIKeySSNSIFLKHWOZKD-ZDUSSCGKSA-N
XLogP3.59
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 7847100
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 8908112
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 17396582
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 7847109
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 7847110
(1-amino-1-oxopropan-2-yl) 2-ethyl-3-methylquinoline-4-carboxylate
CID 3941582
[1-(3-nitroanilino)-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 5072719
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 7439217
[(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 8907857
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 55418898
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2592720
bis[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate
CID 27380722

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate?
The IUPAC name of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate (CID 41323417) is [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate.
What is the SMILES notation for [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate?
The canonical SMILES for [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate is CCc1nc2ccccc2c(C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)c1C.
What is the InChIKey of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate?
The InChIKey is SSNSIFLKHWOZKD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-5-15-12(3)18(14-8-6-7-9-16(14)21-15)20(25)26-13(4)19(24)22-17-10-11(2)27-23-17/h6-10,13H,5H2,1-4H3,(H,22,23,24)/t13-/m0/s1.
What are the key properties of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate?
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate has a molecular weight of 367.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate is sourced from PubChem (CID 41323417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).