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

C15H18N2O3 — CID 90537660

IUPACN-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCCc2cc(C)no2)c1
InChIInChI=1S/C15H18N2O3/c1-11-4-3-5-13(8-11)19-10-15(18)16-7-6-14-9-12(2)17-20-14/h3-5,8-9H,6-7,10H2,1-2H3,(H,16,18)
InChIKeyZDSPXHVOQGVBCJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.03
Rot. Bonds6

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

N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-(3-methylphenoxy)acetamide (PubChem CID 90537660) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-(3-methylphenoxy)acetamide
PubChem CID90537660
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCCc2cc(C)no2)c1
InChIInChI=1S/C15H18N2O3/c1-11-4-3-5-13(8-11)19-10-15(18)16-7-6-14-9-12(2)17-20-14/h3-5,8-9H,6-7,10H2,1-2H3,(H,16,18)
InChIKeyZDSPXHVOQGVBCJ-UHFFFAOYSA-N
XLogP2.03
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 110733552
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 4784838
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide
CID 2991309
N-hexadecyl-2-(3-methylphenoxy)acetamide
CID 3324097
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 110790987
2-[(6-iodo-3-pyridinyl)oxy]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 71849880
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
N-(3-aminobutyl)-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119497988
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 47102238
N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)acetamide
CID 8935101
4-[2-(3-methyl-1,2-oxazol-5-yl)ethylamino]-4-oxobutanoic acid
CID 175958266

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-(3-methylphenoxy)acetamide (CID 90537660) is N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)NCCc2cc(C)no2)c1.
What is the InChIKey of N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is ZDSPXHVOQGVBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-11-4-3-5-13(8-11)19-10-15(18)16-7-6-14-9-12(2)17-20-14/h3-5,8-9H,6-7,10H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-(3-methylphenoxy)acetamide?
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 274.32 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 90537660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).