N-[4-(2,4-dimethyl-6-nitrophenoxy)-5-methyl-1,2-oxazol-3-yl]propanamide

C15H17N3O5 — CID 177257075

IUPACN-[4-(2,4-dimethyl-6-nitrophenoxy)-5-methyl-1,2-oxazol-3-yl]propanamide
SMILESCCC(=O)Nc1noc(C)c1Oc1c(C)cc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H17N3O5/c1-5-12(19)16-15-14(10(4)23-17-15)22-13-9(3)6-8(2)7-11(13)18(20)21/h6-7H,5H2,1-4H3,(H,16,17,19)
InChIKeyZSJIJWSAZNJDOJ-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.65
Rot. Bonds5

About N-[4-(2,4-dimethyl-6-nitrophenoxy)-5-methyl-1,2-oxazol-3-yl]propanamide

N-[4-(2,4-dimethyl-6-nitrophenoxy)-5-methyl-1,2-oxazol-3-yl]propanamide (PubChem CID 177257075) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-[4-(2,4-dimethyl-6-nitrophenoxy)-5-methyl-1,2-oxazol-3-yl]propanamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethyl-6-nitrophenoxy)-5-methyl-1,2-oxazol-3-yl]propanamide
PubChem CID177257075
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC NameN-[4-(2,4-dimethyl-6-nitrophenoxy)-5-methyl-1,2-oxazol-3-yl]propanamide
SMILESCCC(=O)Nc1noc(C)c1Oc1c(C)cc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H17N3O5/c1-5-12(19)16-15-14(10(4)23-17-15)22-13-9(3)6-8(2)7-11(13)18(20)21/h6-7H,5H2,1-4H3,(H,16,17,19)
InChIKeyZSJIJWSAZNJDOJ-UHFFFAOYSA-N
XLogP3.65
TPSA107.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.65
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-(2,4-dimethyl-6-nitrophenyl)propanamide
CID 66522913
2-(2,4-dimethyl-6-nitrophenoxy)pentan-3-one
CID 64866319
(2R)-2-(2,4-dimethyl-6-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41037031
N-(4-acetamidophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide
CID 23989229
2-[4-(chloromethyl)phenoxy]-1,5-dimethyl-3-nitrobenzene
CID 63566433
1-(2,4-dimethyl-6-nitrophenoxy)-3,3-dimethylbutan-2-one
CID 55021233
5-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carboxylic acid
CID 115491121
1-(2,4-dimethyl-6-nitrophenoxy)-3-methoxypropan-2-one
CID 107508134
6-(2,4-dimethyl-6-nitrophenoxy)pyridine-3-carboxylic acid
CID 62098338
3,6-dichloro-5-(2,4-dimethyl-6-nitrophenoxy)-1,2,4-triazine
CID 81037916
2-(2,4-dimethyl-6-nitrophenoxy)pyrimidine-4-carboxylic acid
CID 107554847
4-(bromomethyl)-5-(2,4-dimethyl-6-nitrophenoxy)-1,3-dimethylpyrazole
CID 107088293

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethyl-6-nitrophenoxy)-5-methyl-1,2-oxazol-3-yl]propanamide?
The IUPAC name of N-[4-(2,4-dimethyl-6-nitrophenoxy)-5-methyl-1,2-oxazol-3-yl]propanamide (CID 177257075) is N-[4-(2,4-dimethyl-6-nitrophenoxy)-5-methyl-1,2-oxazol-3-yl]propanamide.
What is the SMILES notation for N-[4-(2,4-dimethyl-6-nitrophenoxy)-5-methyl-1,2-oxazol-3-yl]propanamide?
The canonical SMILES for N-[4-(2,4-dimethyl-6-nitrophenoxy)-5-methyl-1,2-oxazol-3-yl]propanamide is CCC(=O)Nc1noc(C)c1Oc1c(C)cc(C)cc1[N+](=O)[O-].
What is the InChIKey of N-[4-(2,4-dimethyl-6-nitrophenoxy)-5-methyl-1,2-oxazol-3-yl]propanamide?
The InChIKey is ZSJIJWSAZNJDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5/c1-5-12(19)16-15-14(10(4)23-17-15)22-13-9(3)6-8(2)7-11(13)18(20)21/h6-7H,5H2,1-4H3,(H,16,17,19).
What are the key properties of N-[4-(2,4-dimethyl-6-nitrophenoxy)-5-methyl-1,2-oxazol-3-yl]propanamide?
N-[4-(2,4-dimethyl-6-nitrophenoxy)-5-methyl-1,2-oxazol-3-yl]propanamide has a molecular weight of 319.32 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethyl-6-nitrophenoxy)-5-methyl-1,2-oxazol-3-yl]propanamide is sourced from PubChem (CID 177257075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).