N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide

C16H21N3O2 — CID 51112446

IUPACN-[2-(N-ethyl-3-methylanilino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCN(CCNC(=O)c1cc(C)on1)c1cccc(C)c1
InChIInChI=1S/C16H21N3O2/c1-4-19(14-7-5-6-12(2)10-14)9-8-17-16(20)15-11-13(3)21-18-15/h5-7,10-11H,4,8-9H2,1-3H3,(H,17,20)
InChIKeyQPYDBMGDYYKWGM-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.55
Rot. Bonds6

About N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 51112446) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-3-methylanilino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID51112446
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[2-(N-ethyl-3-methylanilino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCN(CCNC(=O)c1cc(C)on1)c1cccc(C)c1
InChIInChI=1S/C16H21N3O2/c1-4-19(14-7-5-6-12(2)10-14)9-8-17-16(20)15-11-13(3)21-18-15/h5-7,10-11H,4,8-9H2,1-3H3,(H,17,20)
InChIKeyQPYDBMGDYYKWGM-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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Related Compounds

N-[2-(N-ethyl-3-methylanilino)ethyl]furan-2-carboxamide
CID 51193709
3-(N-ethyl-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109042852
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216
2-(aminomethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119831790
2-(2-aminoethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120640026
3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide;dihydrochloride
CID 119831786
N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide
CID 51151803
2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 119831753
N-[2-(N-ethyl-3-methylanilino)ethyl]-3,4,5-trimethoxybenzamide
CID 8909756
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119831783
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 46684568
1-(2,6-diethylphenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
CID 3741166

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 51112446) is N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide is CCN(CCNC(=O)c1cc(C)on1)c1cccc(C)c1.
What is the InChIKey of N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is QPYDBMGDYYKWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-19(14-7-5-6-12(2)10-14)9-8-17-16(20)15-11-13(3)21-18-15/h5-7,10-11H,4,8-9H2,1-3H3,(H,17,20).
What are the key properties of N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methyl-1,2-oxazole-3-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-ethyl-3-methylanilino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51112446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).