N-(4-aminophenyl)-N-ethyl-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

C14H17N3O3 — CID 66157522

IUPACN-(4-aminophenyl)-N-ethyl-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCCN(C(=O)c1cc(COC)on1)c1ccc(N)cc1
InChIInChI=1S/C14H17N3O3/c1-3-17(11-6-4-10(15)5-7-11)14(18)13-8-12(9-19-2)20-16-13/h4-8H,3,9,15H2,1-2H3
InChIKeySDPBNXUGEMJBKA-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.07
Rot. Bonds5

About N-(4-aminophenyl)-N-ethyl-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

N-(4-aminophenyl)-N-ethyl-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 66157522) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-ethyl-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-ethyl-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID66157522
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(4-aminophenyl)-N-ethyl-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCCN(C(=O)c1cc(COC)on1)c1ccc(N)cc1
InChIInChI=1S/C14H17N3O3/c1-3-17(11-6-4-10(15)5-7-11)14(18)13-8-12(9-19-2)20-16-13/h4-8H,3,9,15H2,1-2H3
InChIKeySDPBNXUGEMJBKA-UHFFFAOYSA-N
XLogP2.07
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-ethyl-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-aminophenyl)-N-ethyl-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (CID 66157522) is N-(4-aminophenyl)-N-ethyl-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-N-ethyl-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-N-ethyl-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is CCN(C(=O)c1cc(COC)on1)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-ethyl-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is SDPBNXUGEMJBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-17(11-6-4-10(15)5-7-11)14(18)13-8-12(9-19-2)20-16-13/h4-8H,3,9,15H2,1-2H3.
What are the key properties of N-(4-aminophenyl)-N-ethyl-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
N-(4-aminophenyl)-N-ethyl-5-(methoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-ethyl-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 66157522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).