N,N-diethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide

C16H21N3O2 — CID 52758354

IUPACN,N-diethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide
SMILESCCN(CC)C(=O)c1ccccc1NCc1cc(C)on1
InChIInChI=1S/C16H21N3O2/c1-4-19(5-2)16(20)14-8-6-7-9-15(14)17-11-13-10-12(3)21-18-13/h6-10,17H,4-5,11H2,1-3H3
InChIKeySLFQOSGIRYZCEB-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.08
Rot. Bonds6

About N,N-diethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide

N,N-diethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide (PubChem CID 52758354) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N,N-diethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide
PubChem CID52758354
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN,N-diethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide
SMILESCCN(CC)C(=O)c1ccccc1NCc1cc(C)on1
InChIInChI=1S/C16H21N3O2/c1-4-19(5-2)16(20)14-8-6-7-9-15(14)17-11-13-10-12(3)21-18-13/h6-10,17H,4-5,11H2,1-3H3
InChIKeySLFQOSGIRYZCEB-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide?
The IUPAC name of N,N-diethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide (CID 52758354) is N,N-diethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide.
What is the SMILES notation for N,N-diethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide?
The canonical SMILES for N,N-diethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide is CCN(CC)C(=O)c1ccccc1NCc1cc(C)on1.
What is the InChIKey of N,N-diethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide?
The InChIKey is SLFQOSGIRYZCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-19(5-2)16(20)14-8-6-7-9-15(14)17-11-13-10-12(3)21-18-13/h6-10,17H,4-5,11H2,1-3H3.
What are the key properties of N,N-diethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide?
N,N-diethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide has a molecular weight of 287.36 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide is sourced from PubChem (CID 52758354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).