3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-piperidin-1-ylbenzamide

C25H28N4O4 — CID 55553416

IUPAC3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-piperidin-1-ylbenzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)cc1
InChIInChI=1S/C25H28N4O4/c1-16-21(17(2)33-28-16)15-32-20-9-6-18(7-10-20)25(31)27-22-14-19(24(26)30)8-11-23(22)29-12-4-3-5-13-29/h6-11,14H,3-5,12-13,15H2,1-2H3,(H2,26,30)(H,27,31)
InChIKeyJTMBYAGCVUNFCN-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.21
Rot. Bonds7

About 3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-piperidin-1-ylbenzamide

3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-piperidin-1-ylbenzamide (PubChem CID 55553416) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-piperidin-1-ylbenzamide
PubChem CID55553416
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-piperidin-1-ylbenzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)cc1
InChIInChI=1S/C25H28N4O4/c1-16-21(17(2)33-28-16)15-32-20-9-6-18(7-10-20)25(31)27-22-14-19(24(26)30)8-11-23(22)29-12-4-3-5-13-29/h6-11,14H,3-5,12-13,15H2,1-2H3,(H2,26,30)(H,27,31)
InChIKeyJTMBYAGCVUNFCN-UHFFFAOYSA-N
XLogP4.21
TPSA110.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 8007252
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-hydroxyphenyl)benzamide
CID 78783407
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)benzamide
CID 4852264
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
CID 2450679
N-(2-chloro-4-methylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 7926596
N-(2,3-dichlorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 135338189
3-[[2-(4-iodophenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide
CID 55553639
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-fluoro-5-methylphenyl)benzamide
CID 34233334
N-[3-chloro-2-(dimethylamino)phenyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 55763182
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
CID 30593708
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-piperidin-1-ylpropyl)benzamide
CID 31093025
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide
CID 55887040

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-piperidin-1-ylbenzamide?
The IUPAC name of 3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-piperidin-1-ylbenzamide (CID 55553416) is 3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for 3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-piperidin-1-ylbenzamide?
The canonical SMILES for 3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-piperidin-1-ylbenzamide is Cc1noc(C)c1COc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)cc1.
What is the InChIKey of 3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-piperidin-1-ylbenzamide?
The InChIKey is JTMBYAGCVUNFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-16-21(17(2)33-28-16)15-32-20-9-6-18(7-10-20)25(31)27-22-14-19(24(26)30)8-11-23(22)29-12-4-3-5-13-29/h6-11,14H,3-5,12-13,15H2,1-2H3,(H2,26,30)(H,27,31).
What are the key properties of 3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-piperidin-1-ylbenzamide?
3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-piperidin-1-ylbenzamide has a molecular weight of 448.52 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 55553416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).