2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[3-(N-ethylanilino)propyl]acetamide

C25H31N3O3 — CID 41278258

IUPAC2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[3-(N-ethylanilino)propyl]acetamide
SMILESCCN(CCCNC(=O)Cc1ccc(OCc2c(C)noc2C)cc1)c1ccccc1
InChIInChI=1S/C25H31N3O3/c1-4-28(22-9-6-5-7-10-22)16-8-15-26-25(29)17-21-11-13-23(14-12-21)30-18-24-19(2)27-31-20(24)3/h5-7,9-14H,4,8,15-18H2,1-3H3,(H,26,29)
InChIKeyUJCDQKYDJNGOIT-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.45
Rot. Bonds11

About 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[3-(N-ethylanilino)propyl]acetamide

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[3-(N-ethylanilino)propyl]acetamide (PubChem CID 41278258) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[3-(N-ethylanilino)propyl]acetamide.

Molecular Properties

Compound Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[3-(N-ethylanilino)propyl]acetamide
PubChem CID41278258
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[3-(N-ethylanilino)propyl]acetamide
SMILESCCN(CCCNC(=O)Cc1ccc(OCc2c(C)noc2C)cc1)c1ccccc1
InChIInChI=1S/C25H31N3O3/c1-4-28(22-9-6-5-7-10-22)16-8-15-26-25(29)17-21-11-13-23(14-12-21)30-18-24-19(2)27-31-20(24)3/h5-7,9-14H,4,8,15-18H2,1-3H3,(H,26,29)
InChIKeyUJCDQKYDJNGOIT-UHFFFAOYSA-N
XLogP4.45
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-pentylacetamide
CID 26532652
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-ethyl-N-phenylacetamide
CID 43025463
N-butyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-phenylacetamide
CID 112767890
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-prop-2-enylacetamide
CID 26641405
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 27650114
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(N-ethylanilino)propyl]pyridine-3-carboxamide
CID 35425242
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methoxyacetamide
CID 30796971
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(furan-2-ylmethyl)acetamide
CID 4785185
N-[2-(cycloheptylamino)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide;hydrochloride
CID 119261110
[2-(2-methoxyethylamino)-2-oxoethyl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 7398980
N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide
CID 27665797
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 41419173

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[3-(N-ethylanilino)propyl]acetamide?
The IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[3-(N-ethylanilino)propyl]acetamide (CID 41278258) is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[3-(N-ethylanilino)propyl]acetamide.
What is the SMILES notation for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[3-(N-ethylanilino)propyl]acetamide?
The canonical SMILES for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[3-(N-ethylanilino)propyl]acetamide is CCN(CCCNC(=O)Cc1ccc(OCc2c(C)noc2C)cc1)c1ccccc1.
What is the InChIKey of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[3-(N-ethylanilino)propyl]acetamide?
The InChIKey is UJCDQKYDJNGOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-4-28(22-9-6-5-7-10-22)16-8-15-26-25(29)17-21-11-13-23(14-12-21)30-18-24-19(2)27-31-20(24)3/h5-7,9-14H,4,8,15-18H2,1-3H3,(H,26,29).
What are the key properties of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[3-(N-ethylanilino)propyl]acetamide?
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[3-(N-ethylanilino)propyl]acetamide has a molecular weight of 421.54 g/mol, XLogP of 4.45, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[3-(N-ethylanilino)propyl]acetamide is sourced from PubChem (CID 41278258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).