4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide

C23H22N4O3 — CID 30125187

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)NCc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C23H22N4O3/c1-16-22(17(2)30-26-16)15-29-21-10-8-19(9-11-21)23(28)24-12-18-13-25-27(14-18)20-6-4-3-5-7-20/h3-11,13-14H,12,15H2,1-2H3,(H,24,28)
InChIKeyKKYVFDXFSWITHR-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.99
Rot. Bonds7

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide (PubChem CID 30125187) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
PubChem CID30125187
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)NCc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C23H22N4O3/c1-16-22(17(2)30-26-16)15-29-21-10-8-19(9-11-21)23(28)24-12-18-13-25-27(14-18)20-6-4-3-5-7-20/h3-11,13-14H,12,15H2,1-2H3,(H,24,28)
InChIKeyKKYVFDXFSWITHR-UHFFFAOYSA-N
XLogP3.99
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-chloropyrazol-1-yl)phenyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 29097837
N-[(2-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 78781700
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine
CID 112727546
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone
CID 18074313
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 30177336
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 55692442
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55709579
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 30102866
N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 17483211
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 55846787
2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 26078765
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide
CID 7971440

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide (CID 30125187) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide is Cc1noc(C)c1COc1ccc(C(=O)NCc2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The InChIKey is KKYVFDXFSWITHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-16-22(17(2)30-26-16)15-29-21-10-8-19(9-11-21)23(28)24-12-18-13-25-27(14-18)20-6-4-3-5-7-20/h3-11,13-14H,12,15H2,1-2H3,(H,24,28).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide has a molecular weight of 402.45 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 30125187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).