[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate

C15H14Cl2N2O5 — CID 16595399

IUPAC[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
SMILESO=C(COC(=O)CCCOc1ccc(Cl)cc1Cl)Nc1ccon1
InChIInChI=1S/C15H14Cl2N2O5/c16-10-3-4-12(11(17)8-10)22-6-1-2-15(21)23-9-14(20)18-13-5-7-24-19-13/h3-5,7-8H,1-2,6,9H2,(H,18,19,20)
InChIKeyNTPGNMOGQZHHKB-UHFFFAOYSA-N
MW373.19 g/mol
LogP3.32
Rot. Bonds8

About [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate

[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate (PubChem CID 16595399) has the molecular formula C15H14Cl2N2O5 and a molecular weight of 373.19 g/mol. Its IUPAC name is [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate.

Molecular Properties

Compound Name[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
PubChem CID16595399
Molecular FormulaC15H14Cl2N2O5
Molecular Weight373.19 g/mol
Exact Mass372.03
IUPAC Name[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
SMILESO=C(COC(=O)CCCOc1ccc(Cl)cc1Cl)Nc1ccon1
InChIInChI=1S/C15H14Cl2N2O5/c16-10-3-4-12(11(17)8-10)22-6-1-2-15(21)23-9-14(20)18-13-5-7-24-19-13/h3-5,7-8H,1-2,6,9H2,(H,18,19,20)
InChIKeyNTPGNMOGQZHHKB-UHFFFAOYSA-N
XLogP3.32
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.19
LogP ≤ 53.32
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-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
CID 2510840
[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-(1,2-oxazol-3-ylamino)-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 16595484
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 1349237
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
CID 16556562
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
CID 3599814
[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-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 3343843

Frequently Asked Questions

What is the IUPAC name of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate?
The IUPAC name of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate (CID 16595399) is [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate.
What is the SMILES notation for [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate?
The canonical SMILES for [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate is O=C(COC(=O)CCCOc1ccc(Cl)cc1Cl)Nc1ccon1.
What is the InChIKey of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate?
The InChIKey is NTPGNMOGQZHHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O5/c16-10-3-4-12(11(17)8-10)22-6-1-2-15(21)23-9-14(20)18-13-5-7-24-19-13/h3-5,7-8H,1-2,6,9H2,(H,18,19,20).
What are the key properties of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate?
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate has a molecular weight of 373.19 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate is sourced from PubChem (CID 16595399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).