4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-phenylpiperidine-1-carboxamide

C25H28N4O4 — CID 46700471

IUPAC4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-phenylpiperidine-1-carboxamide
SMILESCc1noc(C)c1COc1ccc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C25H28N4O4/c1-17-23(18(2)33-28-17)16-32-22-10-8-19(9-11-22)24(30)26-21-12-14-29(15-13-21)25(31)27-20-6-4-3-5-7-20/h3-11,21H,12-16H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyDVEFTFMPGVEYMS-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.30
Rot. Bonds6

About 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-phenylpiperidine-1-carboxamide

4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-phenylpiperidine-1-carboxamide (PubChem CID 46700471) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-phenylpiperidine-1-carboxamide
PubChem CID46700471
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-phenylpiperidine-1-carboxamide
SMILESCc1noc(C)c1COc1ccc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C25H28N4O4/c1-17-23(18(2)33-28-17)16-32-22-10-8-19(9-11-22)24(30)26-21-12-14-29(15-13-21)25(31)27-20-6-4-3-5-7-20/h3-11,21H,12-16H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyDVEFTFMPGVEYMS-UHFFFAOYSA-N
XLogP4.30
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-phenylpiperidine-1-carboxamide with MolForge

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 30855376
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 9268823
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55859103
N-cyclopropyl-2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 8023741
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 46456125
N-phenyl-4-[(4-prop-2-enoxybenzoyl)amino]piperidine-1-carboxamide
CID 46588527
N'-(cyclopropanecarbonyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide
CID 34259031
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)methoxyimino]-N-phenylpiperidine-1-carboxamide
CID 24623669
6-ethoxy-N-[1-(phenylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 87034036
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-hydroxyphenyl)benzamide
CID 78783407
methyl 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperidine-4-carboxylate
CID 51153800

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-phenylpiperidine-1-carboxamide (CID 46700471) is 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-phenylpiperidine-1-carboxamide is Cc1noc(C)c1COc1ccc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-phenylpiperidine-1-carboxamide?
The InChIKey is DVEFTFMPGVEYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-17-23(18(2)33-28-17)16-32-22-10-8-19(9-11-22)24(30)26-21-12-14-29(15-13-21)25(31)27-20-6-4-3-5-7-20/h3-11,21H,12-16H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-phenylpiperidine-1-carboxamide?
4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-phenylpiperidine-1-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 46700471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).