2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide

C26H27FN4O3 — CID 55866373

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C26H27FN4O3/c1-17-23(18(2)34-30-17)16-33-25-9-5-4-8-22(25)26(32)31(3)14-6-7-21-15-24(29-28-21)19-10-12-20(27)13-11-19/h4-5,8-13,15H,6-7,14,16H2,1-3H3,(H,28,29)
InChIKeyCFCVRLDGVWMMDA-UHFFFAOYSA-N
MW462.53 g/mol
LogP5.10
Rot. Bonds9

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide (PubChem CID 55866373) has the molecular formula C26H27FN4O3 and a molecular weight of 462.53 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide
PubChem CID55866373
Molecular FormulaC26H27FN4O3
Molecular Weight462.53 g/mol
Exact Mass462.21
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C26H27FN4O3/c1-17-23(18(2)34-30-17)16-33-25-9-5-4-8-22(25)26(32)31(3)14-6-7-21-15-24(29-28-21)19-10-12-20(27)13-11-19/h4-5,8-13,15H,6-7,14,16H2,1-3H3,(H,28,29)
InChIKeyCFCVRLDGVWMMDA-UHFFFAOYSA-N
XLogP5.10
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.53
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 34677040
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 35146752
2-(2-amino-2-oxoethoxy)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide
CID 55977088
2-bromo-4-fluoro-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide
CID 55866365
N-(3-amino-2,2-dimethylpropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 119652632
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 25161494
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1H-indazole-3-carboxamide
CID 86998733
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 78770635
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-fluorophenyl]ethanone
CID 71628485
[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 55310114
3-(cyclopropanecarbonylamino)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylnaphthalene-2-carboxamide
CID 55866237
2-(2-ethoxyphenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
CID 55970403

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide (CID 55866373) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide is Cc1noc(C)c1COc1ccccc1C(=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide?
The InChIKey is CFCVRLDGVWMMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O3/c1-17-23(18(2)34-30-17)16-33-25-9-5-4-8-22(25)26(32)31(3)14-6-7-21-15-24(29-28-21)19-10-12-20(27)13-11-19/h4-5,8-13,15H,6-7,14,16H2,1-3H3,(H,28,29).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide has a molecular weight of 462.53 g/mol, XLogP of 5.10, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide is sourced from PubChem (CID 55866373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).