[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate

C16H16ClN3O5 — CID 7563517

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
SMILESCc1cc(NC(=O)COC(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)no1
InChIInChI=1S/C16H16ClN3O5/c1-9-7-13(20-25-9)19-14(21)8-24-16(23)10(2)18-15(22)11-3-5-12(17)6-4-11/h3-7,10H,8H2,1-2H3,(H,18,22)(H,19,20,21)/t10-/m0/s1
InChIKeyZFJFAXCHOXXKBI-JTQLQIEISA-N
MW365.77 g/mol
LogP1.94
Rot. Bonds6

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate (PubChem CID 7563517) has the molecular formula C16H16ClN3O5 and a molecular weight of 365.77 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
PubChem CID7563517
Molecular FormulaC16H16ClN3O5
Molecular Weight365.77 g/mol
Exact Mass365.08
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
SMILESCc1cc(NC(=O)COC(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)no1
InChIInChI=1S/C16H16ClN3O5/c1-9-7-13(20-25-9)19-14(21)8-24-16(23)10(2)18-15(22)11-3-5-12(17)6-4-11/h3-7,10H,8H2,1-2H3,(H,18,22)(H,19,20,21)/t10-/m0/s1
InChIKeyZFJFAXCHOXXKBI-JTQLQIEISA-N
XLogP1.94
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.77
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate with MolForge

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Related Compounds

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8864971
2-[(4-methylbenzoyl)amino]-3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]-3-oxopropanoic acid
CID 45143448
[2-(4-fluoroanilino)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
CID 7563182
[2-(2-carbamoylanilino)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
CID 7563374
4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide
CID 3170438
4-chloro-N-[4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]amino]phenyl]benzamide
CID 47485721
4-chloro-N-[(2S,3S)-3-methyl-1-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-1-oxopentan-2-yl]benzamide
CID 33267225
(5-methyl-1,2-oxazol-3-yl)methyl (2S)-2-[(4-bromobenzoyl)amino]propanoate
CID 8880494
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854411
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 2429318
1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050664
3-chloro-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 110764772

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate (CID 7563517) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate is Cc1cc(NC(=O)COC(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate?
The InChIKey is ZFJFAXCHOXXKBI-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16ClN3O5/c1-9-7-13(20-25-9)19-14(21)8-24-16(23)10(2)18-15(22)11-3-5-12(17)6-4-11/h3-7,10H,8H2,1-2H3,(H,18,22)(H,19,20,21)/t10-/m0/s1.
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate has a molecular weight of 365.77 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate is sourced from PubChem (CID 7563517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).