N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(4-nitrophenoxy)acetamide

C19H17N3O5 — CID 56530016

IUPACN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(4-nitrophenoxy)acetamide
SMILESCCc1ccc(-c2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)on2)cc1
InChIInChI=1S/C19H17N3O5/c1-2-13-3-5-14(6-4-13)17-11-19(27-21-17)20-18(23)12-26-16-9-7-15(8-10-16)22(24)25/h3-11H,2,12H2,1H3,(H,20,23)
InChIKeyMEDZWIAJBUUFGJ-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.83
Rot. Bonds7

About N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(4-nitrophenoxy)acetamide

N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(4-nitrophenoxy)acetamide (PubChem CID 56530016) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(4-nitrophenoxy)acetamide
PubChem CID56530016
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC NameN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(4-nitrophenoxy)acetamide
SMILESCCc1ccc(-c2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)on2)cc1
InChIInChI=1S/C19H17N3O5/c1-2-13-3-5-14(6-4-13)17-11-19(27-21-17)20-18(23)12-26-16-9-7-15(8-10-16)22(24)25/h3-11H,2,12H2,1H3,(H,20,23)
InChIKeyMEDZWIAJBUUFGJ-UHFFFAOYSA-N
XLogP3.83
TPSA107.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-ethylphenyl)-2-(4-nitrophenoxy)acetamide
CID 53268222
2-(2,4-difluorophenoxy)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]acetamide
CID 56530159
2-(4-ethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 3389799
4-amino-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-nitrobenzamide
CID 56544763
N-(3-ethylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2632103
4-ethyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 78780603
2-(4-tert-butylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide
CID 17013529
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2-(methylamino)-5-nitrobenzoate
CID 9485670
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
2-(4-ethylphenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide
CID 5241566
ethyl 3-(4-nitrophenyl)-1,2-oxazole-5-carboxylate
CID 949375
N-[2-(4-ethylphenyl)benzotriazol-5-yl]-2-(4-nitrophenoxy)acetamide
CID 17219884

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(4-nitrophenoxy)acetamide (CID 56530016) is N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(4-nitrophenoxy)acetamide is CCc1ccc(-c2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)on2)cc1.
What is the InChIKey of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(4-nitrophenoxy)acetamide?
The InChIKey is MEDZWIAJBUUFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5/c1-2-13-3-5-14(6-4-13)17-11-19(27-21-17)20-18(23)12-26-16-9-7-15(8-10-16)22(24)25/h3-11H,2,12H2,1H3,(H,20,23).
What are the key properties of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(4-nitrophenoxy)acetamide?
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(4-nitrophenoxy)acetamide has a molecular weight of 367.36 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 56530016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).