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

C17H23N3O3 — CID 35799341

IUPAC3-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCN(C)CCOc2ccccc2C)no1
InChIInChI=1S/C17H23N3O3/c1-13-6-4-5-7-15(13)22-11-10-20(3)9-8-17(21)18-16-12-14(2)23-19-16/h4-7,12H,8-11H2,1-3H3,(H,18,19,21)
InChIKeyYSJPLJSNCBJMQA-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.63
Rot. Bonds8

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

3-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 35799341) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID35799341
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCN(C)CCOc2ccccc2C)no1
InChIInChI=1S/C17H23N3O3/c1-13-6-4-5-7-15(13)22-11-10-20(3)9-8-17(21)18-16-12-14(2)23-19-16/h4-7,12H,8-11H2,1-3H3,(H,18,19,21)
InChIKeyYSJPLJSNCBJMQA-UHFFFAOYSA-N
XLogP2.63
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 35799350
N-(5-methyl-1,2-oxazol-3-yl)-3-[methyl(3-phenoxypropyl)amino]propanamide
CID 37119026
3-[3-(4-fluorophenoxy)propyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 37454270
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate
CID 46672181
2-[[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60504801
3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 39973520
2-methyl-3-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]propanoic acid
CID 55007447
N-(5-methyl-1,2-oxazol-3-yl)-3-(3-phenoxypropanoylamino)propanamide
CID 110370366
1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-phenoxyethyl)urea
CID 18101657
2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17448221
2-[carboxymethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
CID 63645461
3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113142554

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 35799341) is 3-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)CCN(C)CCOc2ccccc2C)no1.
What is the InChIKey of 3-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is YSJPLJSNCBJMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-13-6-4-5-7-15(13)22-11-10-20(3)9-8-17(21)18-16-12-14(2)23-19-16/h4-7,12H,8-11H2,1-3H3,(H,18,19,21).
What are the key properties of 3-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 317.39 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 35799341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).