ethyl 4-[[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-4-oxobutanoate

C16H23N3O6 — CID 4199477

IUPACethyl 4-[[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(CC(=O)Nc1ccon1)CC1CCCO1
InChIInChI=1S/C16H23N3O6/c1-2-23-16(22)6-5-15(21)19(10-12-4-3-8-24-12)11-14(20)17-13-7-9-25-18-13/h7,9,12H,2-6,8,10-11H2,1H3,(H,17,18,20)
InChIKeyFXFFJZPFYDBPNP-UHFFFAOYSA-N
MW353.38 g/mol
LogP0.96
Rot. Bonds9

About ethyl 4-[[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-4-oxobutanoate

ethyl 4-[[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-4-oxobutanoate (PubChem CID 4199477) has the molecular formula C16H23N3O6 and a molecular weight of 353.38 g/mol. Its IUPAC name is ethyl 4-[[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-4-oxobutanoate
PubChem CID4199477
Molecular FormulaC16H23N3O6
Molecular Weight353.38 g/mol
Exact Mass353.16
IUPAC Nameethyl 4-[[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(CC(=O)Nc1ccon1)CC1CCCO1
InChIInChI=1S/C16H23N3O6/c1-2-23-16(22)6-5-15(21)19(10-12-4-3-8-24-12)11-14(20)17-13-7-9-25-18-13/h7,9,12H,2-6,8,10-11H2,1H3,(H,17,18,20)
InChIKeyFXFFJZPFYDBPNP-UHFFFAOYSA-N
XLogP0.96
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-4-oxobutanoate with MolForge

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Related Compounds

N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)propanamide
CID 4163444
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]hexanamide
CID 7296221
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]tetradecanamide
CID 98397526
3-cyclopentyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)propanamide
CID 42771678
2,6-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7218439
2-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 4230560
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 42771679
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 7327164
2-[(3-methoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42771751
ethyl 4-[cyclohexylmethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutanoate
CID 42770380
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 42771686
N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2R)-oxolan-2-yl]methyl]-N'-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]butanediamide
CID 7397522

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-4-oxobutanoate (CID 4199477) is ethyl 4-[[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-4-oxobutanoate is CCOC(=O)CCC(=O)N(CC(=O)Nc1ccon1)CC1CCCO1.
What is the InChIKey of ethyl 4-[[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-4-oxobutanoate?
The InChIKey is FXFFJZPFYDBPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O6/c1-2-23-16(22)6-5-15(21)19(10-12-4-3-8-24-12)11-14(20)17-13-7-9-25-18-13/h7,9,12H,2-6,8,10-11H2,1H3,(H,17,18,20).
What are the key properties of ethyl 4-[[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-4-oxobutanoate?
ethyl 4-[[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-4-oxobutanoate has a molecular weight of 353.38 g/mol, XLogP of 0.96, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-4-oxobutanoate is sourced from PubChem (CID 4199477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).