2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[3-(2,4-dimethylphenoxy)propyl]acetamide

C18H26N2O3 — CID 59000260

IUPAC2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[3-(2,4-dimethylphenoxy)propyl]acetamide
SMILESCc1ccc(OCCCNC(=O)CC2=NC(C)C(C)O2)c(C)c1
InChIInChI=1S/C18H26N2O3/c1-12-6-7-16(13(2)10-12)22-9-5-8-19-17(21)11-18-20-14(3)15(4)23-18/h6-7,10,14-15H,5,8-9,11H2,1-4H3,(H,19,21)
InChIKeyXOTOHDJTYSXVQH-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.78
Rot. Bonds7

About 2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[3-(2,4-dimethylphenoxy)propyl]acetamide

2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[3-(2,4-dimethylphenoxy)propyl]acetamide (PubChem CID 59000260) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[3-(2,4-dimethylphenoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[3-(2,4-dimethylphenoxy)propyl]acetamide
PubChem CID59000260
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[3-(2,4-dimethylphenoxy)propyl]acetamide
SMILESCc1ccc(OCCCNC(=O)CC2=NC(C)C(C)O2)c(C)c1
InChIInChI=1S/C18H26N2O3/c1-12-6-7-16(13(2)10-12)22-9-5-8-19-17(21)11-18-20-14(3)15(4)23-18/h6-7,10,14-15H,5,8-9,11H2,1-4H3,(H,19,21)
InChIKeyXOTOHDJTYSXVQH-UHFFFAOYSA-N
XLogP2.78
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2,4-dimethylphenoxy)propyl]propanamide
CID 20669618
2-(2,4-dimethylphenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 134029702
1-butyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973601
1-[3-(2,4-dimethylphenoxy)propyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]urea
CID 18716817
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
N-[3-[2-(2,4-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8531999
N-[2-(2,4-dimethylphenoxy)ethyl]-2-hydroxybenzamide
CID 31448668
N-[2-(2,4-dimethylphenoxy)ethyl]-2-phenylsulfanylacetamide
CID 26446526
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 18198635
2-(4-chlorophenoxy)-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
CID 9194409
2-[2-(2,4-dimethylphenoxy)ethylamino]acetic acid
CID 94684404
1-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-ylamino)-3-[3-(2,4-dimethylphenoxy)propyl]urea
CID 91100843

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[3-(2,4-dimethylphenoxy)propyl]acetamide?
The IUPAC name of 2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[3-(2,4-dimethylphenoxy)propyl]acetamide (CID 59000260) is 2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[3-(2,4-dimethylphenoxy)propyl]acetamide.
What is the SMILES notation for 2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[3-(2,4-dimethylphenoxy)propyl]acetamide?
The canonical SMILES for 2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[3-(2,4-dimethylphenoxy)propyl]acetamide is Cc1ccc(OCCCNC(=O)CC2=NC(C)C(C)O2)c(C)c1.
What is the InChIKey of 2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[3-(2,4-dimethylphenoxy)propyl]acetamide?
The InChIKey is XOTOHDJTYSXVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12-6-7-16(13(2)10-12)22-9-5-8-19-17(21)11-18-20-14(3)15(4)23-18/h6-7,10,14-15H,5,8-9,11H2,1-4H3,(H,19,21).
What are the key properties of 2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[3-(2,4-dimethylphenoxy)propyl]acetamide?
2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[3-(2,4-dimethylphenoxy)propyl]acetamide has a molecular weight of 318.42 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[3-(2,4-dimethylphenoxy)propyl]acetamide is sourced from PubChem (CID 59000260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).