N-[2-[[5-(4-aminophenyl)-1,2-oxazol-3-yl]oxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide

C16H21N3O4 — CID 57317114

IUPACN-[2-[[5-(4-aminophenyl)-1,2-oxazol-3-yl]oxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)CCOc1cc(-c2ccc(N)cc2)on1
InChIInChI=1S/C16H21N3O4/c1-16(2,3)23-19(11-20)8-9-21-15-10-14(22-18-15)12-4-6-13(17)7-5-12/h4-7,10-11H,8-9,17H2,1-3H3
InChIKeyCJKLMBXUQIQPRR-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.49
Rot. Bonds7

About N-[2-[[5-(4-aminophenyl)-1,2-oxazol-3-yl]oxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide

N-[2-[[5-(4-aminophenyl)-1,2-oxazol-3-yl]oxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide (PubChem CID 57317114) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[2-[[5-(4-aminophenyl)-1,2-oxazol-3-yl]oxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide.

Molecular Properties

Compound NameN-[2-[[5-(4-aminophenyl)-1,2-oxazol-3-yl]oxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide
PubChem CID57317114
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC NameN-[2-[[5-(4-aminophenyl)-1,2-oxazol-3-yl]oxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)CCOc1cc(-c2ccc(N)cc2)on1
InChIInChI=1S/C16H21N3O4/c1-16(2,3)23-19(11-20)8-9-21-15-10-14(22-18-15)12-4-6-13(17)7-5-12/h4-7,10-11H,8-9,17H2,1-3H3
InChIKeyCJKLMBXUQIQPRR-UHFFFAOYSA-N
XLogP2.49
TPSA90.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(4-aminophenyl)-1,2-oxazol-3-yl]oxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The IUPAC name of N-[2-[[5-(4-aminophenyl)-1,2-oxazol-3-yl]oxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide (CID 57317114) is N-[2-[[5-(4-aminophenyl)-1,2-oxazol-3-yl]oxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide.
What is the SMILES notation for N-[2-[[5-(4-aminophenyl)-1,2-oxazol-3-yl]oxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The canonical SMILES for N-[2-[[5-(4-aminophenyl)-1,2-oxazol-3-yl]oxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide is CC(C)(C)ON(C=O)CCOc1cc(-c2ccc(N)cc2)on1.
What is the InChIKey of N-[2-[[5-(4-aminophenyl)-1,2-oxazol-3-yl]oxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The InChIKey is CJKLMBXUQIQPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-16(2,3)23-19(11-20)8-9-21-15-10-14(22-18-15)12-4-6-13(17)7-5-12/h4-7,10-11H,8-9,17H2,1-3H3.
What are the key properties of N-[2-[[5-(4-aminophenyl)-1,2-oxazol-3-yl]oxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
N-[2-[[5-(4-aminophenyl)-1,2-oxazol-3-yl]oxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide has a molecular weight of 319.36 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(4-aminophenyl)-1,2-oxazol-3-yl]oxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide is sourced from PubChem (CID 57317114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).