N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methylphenyl)propanamide

C16H21N3O2 — CID 109042848

IUPACN-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCNc1cc(C)on1)c1cccc(C)c1
InChIInChI=1S/C16H21N3O2/c1-4-19(14-7-5-6-12(2)10-14)16(20)8-9-17-15-11-13(3)21-18-15/h5-7,10-11H,4,8-9H2,1-3H3,(H,17,18)
InChIKeyPUUZOIFZTYFDIV-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.15
Rot. Bonds6

About N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methylphenyl)propanamide

N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methylphenyl)propanamide (PubChem CID 109042848) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methylphenyl)propanamide
PubChem CID109042848
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCNc1cc(C)on1)c1cccc(C)c1
InChIInChI=1S/C16H21N3O2/c1-4-19(14-7-5-6-12(2)10-14)16(20)8-9-17-15-11-13(3)21-18-15/h5-7,10-11H,4,8-9H2,1-3H3,(H,17,18)
InChIKeyPUUZOIFZTYFDIV-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-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)acetamide
CID 110428661
3-(2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 109035243
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
4-N-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109151176
N-ethyl-N-(3-methylphenyl)-3-(pentylamino)propanamide
CID 109032323
3-(N-ethyl-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109042852
methyl 3-[[3-(N-ethyl-3-methylanilino)-3-oxopropyl]amino]benzoate
CID 109041464
N-ethyl-N-(3-methylphenyl)-3-(prop-2-enylamino)propanamide
CID 109012170
N-ethyl-N-(3-methylphenyl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109024080
N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019406
N-ethyl-3-(furan-2-ylmethylamino)-N-(3-methylphenyl)propanamide
CID 109018740
N'-ethyl-N'-(3-methylphenyl)-N-propylpropanediamide
CID 108940770

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methylphenyl)propanamide?
The IUPAC name of N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methylphenyl)propanamide (CID 109042848) is N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methylphenyl)propanamide?
The canonical SMILES for N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methylphenyl)propanamide is CCN(C(=O)CCNc1cc(C)on1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methylphenyl)propanamide?
The InChIKey is PUUZOIFZTYFDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-19(14-7-5-6-12(2)10-14)16(20)8-9-17-15-11-13(3)21-18-15/h5-7,10-11H,4,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methylphenyl)propanamide?
N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methylphenyl)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 N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 109042848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).