N-[2-(N-ethylanilino)ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide

C16H21N3O2 — CID 53195187

IUPACN-[2-(N-ethylanilino)ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide
SMILESCCN(CCNC(=O)c1nc(C)oc1C)c1ccccc1
InChIInChI=1S/C16H21N3O2/c1-4-19(14-8-6-5-7-9-14)11-10-17-16(20)15-12(2)21-13(3)18-15/h5-9H,4,10-11H2,1-3H3,(H,17,20)
InChIKeyUJZFIIILXOJUOB-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.55
Rot. Bonds6

About N-[2-(N-ethylanilino)ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide

N-[2-(N-ethylanilino)ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide (PubChem CID 53195187) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[2-(N-ethylanilino)ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(N-ethylanilino)ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide
PubChem CID53195187
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[2-(N-ethylanilino)ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide
SMILESCCN(CCNC(=O)c1nc(C)oc1C)c1ccccc1
InChIInChI=1S/C16H21N3O2/c1-4-19(14-8-6-5-7-9-14)11-10-17-16(20)15-12(2)21-13(3)18-15/h5-9H,4,10-11H2,1-3H3,(H,17,20)
InChIKeyUJZFIIILXOJUOB-UHFFFAOYSA-N
XLogP2.55
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethylanilino)ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-(N-ethylanilino)ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide (CID 53195187) is N-[2-(N-ethylanilino)ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(N-ethylanilino)ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(N-ethylanilino)ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide is CCN(CCNC(=O)c1nc(C)oc1C)c1ccccc1.
What is the InChIKey of N-[2-(N-ethylanilino)ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide?
The InChIKey is UJZFIIILXOJUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-19(14-8-6-5-7-9-14)11-10-17-16(20)15-12(2)21-13(3)18-15/h5-9H,4,10-11H2,1-3H3,(H,17,20).
What are the key properties of N-[2-(N-ethylanilino)ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide?
N-[2-(N-ethylanilino)ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethylanilino)ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).