[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate

C16H16Cl2N2O5 — CID 2510840

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
SMILESCc1cc(NC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)no1
InChIInChI=1S/C16H16Cl2N2O5/c1-10-7-14(20-25-10)19-15(21)9-24-16(22)3-2-6-23-13-5-4-11(17)8-12(13)18/h4-5,7-8H,2-3,6,9H2,1H3,(H,19,20,21)
InChIKeyMPYKPXRMAYSEHF-UHFFFAOYSA-N
MW387.22 g/mol
LogP3.63
Rot. Bonds8

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate (PubChem CID 2510840) has the molecular formula C16H16Cl2N2O5 and a molecular weight of 387.22 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
PubChem CID2510840
Molecular FormulaC16H16Cl2N2O5
Molecular Weight387.22 g/mol
Exact Mass386.04
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
SMILESCc1cc(NC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)no1
InChIInChI=1S/C16H16Cl2N2O5/c1-10-7-14(20-25-10)19-15(21)9-24-16(22)3-2-6-23-13-5-4-11(17)8-12(13)18/h4-5,7-8H,2-3,6,9H2,1H3,(H,19,20,21)
InChIKeyMPYKPXRMAYSEHF-UHFFFAOYSA-N
XLogP3.63
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.22
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
CID 16595399
[2-(4-methoxyanilino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
CID 2357919
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
CID 17260200
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 5-anilino-5-oxopentanoate
CID 17259133
N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trichlorophenoxy)acetamide
CID 7894277
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
CID 16556562
methyl 4-chloro-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoate
CID 47021954
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-(2,4-dichlorophenoxy)butanoate
CID 25365035
[2-(tert-butylamino)-2-oxoethyl] 4-(4-chloro-2-methylphenoxy)butanoate
CID 2517583
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
CID 11917062
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-[4-(2-chlorophenoxy)anilino]-4-oxobutanoate
CID 17261729
2-(2,4-dichlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17249236

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate (CID 2510840) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate is Cc1cc(NC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate?
The InChIKey is MPYKPXRMAYSEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O5/c1-10-7-14(20-25-10)19-15(21)9-24-16(22)3-2-6-23-13-5-4-11(17)8-12(13)18/h4-5,7-8H,2-3,6,9H2,1H3,(H,19,20,21).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate has a molecular weight of 387.22 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 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] 4-(2,4-dichlorophenoxy)butanoate is sourced from PubChem (CID 2510840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).