N-butyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-phenylacetamide

C24H28N2O3 — CID 112767890

IUPACN-butyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-phenylacetamide
SMILESCCCCN(C(=O)Cc1ccc(OCc2c(C)noc2C)cc1)c1ccccc1
InChIInChI=1S/C24H28N2O3/c1-4-5-15-26(21-9-7-6-8-10-21)24(27)16-20-11-13-22(14-12-20)28-17-23-18(2)25-29-19(23)3/h6-14H,4-5,15-17H2,1-3H3
InChIKeyUDVPHIHFMIFHEH-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.25
Rot. Bonds9

About N-butyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-phenylacetamide

N-butyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-phenylacetamide (PubChem CID 112767890) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-butyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-butyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-phenylacetamide
PubChem CID112767890
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-butyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-phenylacetamide
SMILESCCCCN(C(=O)Cc1ccc(OCc2c(C)noc2C)cc1)c1ccccc1
InChIInChI=1S/C24H28N2O3/c1-4-5-15-26(21-9-7-6-8-10-21)24(27)16-20-11-13-22(14-12-20)28-17-23-18(2)25-29-19(23)3/h6-14H,4-5,15-17H2,1-3H3
InChIKeyUDVPHIHFMIFHEH-UHFFFAOYSA-N
XLogP5.25
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-ethyl-N-phenylacetamide
CID 43025463
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[3-(N-ethylanilino)propyl]acetamide
CID 41278258
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-pentylacetamide
CID 26532652
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 26555263
N-butyl-N-phenyl-2-(4-sulfanylphenyl)acetamide
CID 107030902
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2399711
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 27650114
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-prop-2-enylacetamide
CID 26641405
2-(4-aminophenyl)-N-butyl-N-phenylacetamide;hydrochloride
CID 119679254
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone
CID 18074313
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide
CID 46564680

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-phenylacetamide?
The IUPAC name of N-butyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-phenylacetamide (CID 112767890) is N-butyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-phenylacetamide.
What is the SMILES notation for N-butyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-phenylacetamide?
The canonical SMILES for N-butyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-phenylacetamide is CCCCN(C(=O)Cc1ccc(OCc2c(C)noc2C)cc1)c1ccccc1.
What is the InChIKey of N-butyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-phenylacetamide?
The InChIKey is UDVPHIHFMIFHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-4-5-15-26(21-9-7-6-8-10-21)24(27)16-20-11-13-22(14-12-20)28-17-23-18(2)25-29-19(23)3/h6-14H,4-5,15-17H2,1-3H3.
What are the key properties of N-butyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-phenylacetamide?
N-butyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-phenylacetamide has a molecular weight of 392.50 g/mol, XLogP of 5.25, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-phenylacetamide is sourced from PubChem (CID 112767890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).