3-(N-ethyl-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C16H21N3O2 — CID 109042852

IUPAC3-(N-ethyl-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCCN(CCC(=O)Nc1cc(C)on1)c1cccc(C)c1
InChIInChI=1S/C16H21N3O2/c1-4-19(14-7-5-6-12(2)10-14)9-8-16(20)17-15-11-13(3)21-18-15/h5-7,10-11H,4,8-9H2,1-3H3,(H,17,18,20)
InChIKeyVPKNSGPEJVRKNN-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.15
Rot. Bonds6

About 3-(N-ethyl-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-(N-ethyl-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 109042852) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(N-ethyl-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(N-ethyl-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID109042852
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-(N-ethyl-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCCN(CCC(=O)Nc1cc(C)on1)c1cccc(C)c1
InChIInChI=1S/C16H21N3O2/c1-4-19(14-7-5-6-12(2)10-14)9-8-16(20)17-15-11-13(3)21-18-15/h5-7,10-11H,4,8-9H2,1-3H3,(H,17,18,20)
InChIKeyVPKNSGPEJVRKNN-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51112446
2-(N-ethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 47121660
3-(N-ethyl-3-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109040250
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113118715
N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide
CID 109016337
N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methylphenyl)propanamide
CID 109042848
3-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 35799350
ethyl 3-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzoate
CID 47064513
N-(3,4-dimethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide
CID 109040578
N-(2-ethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide
CID 109039794
4-N-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109151176
3-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023305

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethyl-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-(N-ethyl-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 109042852) is 3-(N-ethyl-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-(N-ethyl-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-(N-ethyl-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is CCN(CCC(=O)Nc1cc(C)on1)c1cccc(C)c1.
What is the InChIKey of 3-(N-ethyl-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is VPKNSGPEJVRKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-19(14-7-5-6-12(2)10-14)9-8-16(20)17-15-11-13(3)21-18-15/h5-7,10-11H,4,8-9H2,1-3H3,(H,17,18,20).
What are the key properties of 3-(N-ethyl-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-(N-ethyl-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 287.36 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethyl-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 109042852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).