ethyl (2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoate

C16H19N3O5 — CID 101332426

IUPACethyl (2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoate
SMILESCCOC(=O)[C@H](CC)n1cccc(NC(=O)c2cc(C)on2)c1=O
InChIInChI=1S/C16H19N3O5/c1-4-13(16(22)23-5-2)19-8-6-7-11(15(19)21)17-14(20)12-9-10(3)24-18-12/h6-9,13H,4-5H2,1-3H3,(H,17,20)/t13-/m0/s1
InChIKeyFCTHKBIUWAZEDO-ZDUSSCGKSA-N
MW333.34 g/mol
LogP1.91
Rot. Bonds6

About ethyl (2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoate

ethyl (2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoate (PubChem CID 101332426) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is ethyl (2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoate
PubChem CID101332426
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Nameethyl (2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoate
SMILESCCOC(=O)[C@H](CC)n1cccc(NC(=O)c2cc(C)on2)c1=O
InChIInChI=1S/C16H19N3O5/c1-4-13(16(22)23-5-2)19-8-6-7-11(15(19)21)17-14(20)12-9-10(3)24-18-12/h6-9,13H,4-5H2,1-3H3,(H,17,20)/t13-/m0/s1
InChIKeyFCTHKBIUWAZEDO-ZDUSSCGKSA-N
XLogP1.91
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl (2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoate with MolForge

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Related Compounds

ethyl (2R)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoate
CID 101332425
(2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoic acid
CID 10859711
cyclobutyl (E,4S)-4-[[(2R)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 135763022
ethyl 4-[[3-(4-fluorophenyl)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]propanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate
CID 78412248
5-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 38999572
N-[1-(1-amino-1-oxobutan-2-yl)-2-oxo-3-pyridinyl]furan-3-carboxamide
CID 141104537
ethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 14676597
N-(4-chloro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 103766897
propan-2-yl (4S)-4-[[(2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]-3-phenylpropanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 91069567
N-(4-fluoro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 79766728
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 2115172
N-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 77113421

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoate?
The IUPAC name of ethyl (2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoate (CID 101332426) is ethyl (2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoate.
What is the SMILES notation for ethyl (2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoate?
The canonical SMILES for ethyl (2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoate is CCOC(=O)[C@H](CC)n1cccc(NC(=O)c2cc(C)on2)c1=O.
What is the InChIKey of ethyl (2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoate?
The InChIKey is FCTHKBIUWAZEDO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-4-13(16(22)23-5-2)19-8-6-7-11(15(19)21)17-14(20)12-9-10(3)24-18-12/h6-9,13H,4-5H2,1-3H3,(H,17,20)/t13-/m0/s1.
What are the key properties of ethyl (2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoate?
ethyl (2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoate has a molecular weight of 333.34 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]butanoate is sourced from PubChem (CID 101332426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).