N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide

C24H28N2O4 — CID 24676962

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCCOc1ccc(CN(CC)C(=O)Cc2nc(-c3ccccc3)oc2C)cc1OC
InChIInChI=1S/C24H28N2O4/c1-5-26(16-18-12-13-21(29-6-2)22(14-18)28-4)23(27)15-20-17(3)30-24(25-20)19-10-8-7-9-11-19/h7-14H,5-6,15-16H2,1-4H3
InChIKeyOBAXYXZTPZRDBA-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.65
Rot. Bonds9

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide

N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 24676962) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID24676962
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCCOc1ccc(CN(CC)C(=O)Cc2nc(-c3ccccc3)oc2C)cc1OC
InChIInChI=1S/C24H28N2O4/c1-5-26(16-18-12-13-21(29-6-2)22(14-18)28-4)23(27)15-20-17(3)30-24(25-20)19-10-8-7-9-11-19/h7-14H,5-6,15-16H2,1-4H3
InChIKeyOBAXYXZTPZRDBA-UHFFFAOYSA-N
XLogP4.65
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55611791
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51335973
(2S)-2-ethoxy-3-[3-methoxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
CID 10273971
2-ethoxy-3-[3-methoxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
CID 18003547
1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone
CID 51333609
ethyl 3-[3-ethoxy-1-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoate
CID 23021936
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxyphenyl)-N-ethylacetamide
CID 78808317
N-[(2S)-1-methoxypropan-2-yl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 97311968
2-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenylpyrazol-4-yl]acetic acid
CID 69431218
2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N,N-diethylacetamide
CID 110414855
(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-ynyl]phenyl]methyl]carbamate
CID 22087813
ethyl 2-[3-[4-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]acetate
CID 86605727

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (CID 24676962) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is CCOc1ccc(CN(CC)C(=O)Cc2nc(-c3ccccc3)oc2C)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is OBAXYXZTPZRDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-5-26(16-18-12-13-21(29-6-2)22(14-18)28-4)23(27)15-20-17(3)30-24(25-20)19-10-8-7-9-11-19/h7-14H,5-6,15-16H2,1-4H3.
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 408.50 g/mol, XLogP of 4.65, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 24676962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).