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

C21H29N3O5S — CID 46456125

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-propylsulfonylpiperidin-4-yl)benzamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)CC1
InChIInChI=1S/C21H29N3O5S/c1-4-13-30(26,27)24-11-9-18(10-12-24)22-21(25)17-5-7-19(8-6-17)28-14-20-15(2)23-29-16(20)3/h5-8,18H,4,9-14H2,1-3H3,(H,22,25)
InChIKeyFXZGXAMZCGERJU-UHFFFAOYSA-N
MW435.55 g/mol
LogP2.80
Rot. Bonds8

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

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-propylsulfonylpiperidin-4-yl)benzamide (PubChem CID 46456125) has the molecular formula C21H29N3O5S and a molecular weight of 435.55 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-propylsulfonylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-propylsulfonylpiperidin-4-yl)benzamide
PubChem CID46456125
Molecular FormulaC21H29N3O5S
Molecular Weight435.55 g/mol
Exact Mass435.18
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-propylsulfonylpiperidin-4-yl)benzamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)CC1
InChIInChI=1S/C21H29N3O5S/c1-4-13-30(26,27)24-11-9-18(10-12-24)22-21(25)17-5-7-19(8-6-17)28-14-20-15(2)23-29-16(20)3/h5-8,18H,4,9-14H2,1-3H3,(H,22,25)
InChIKeyFXZGXAMZCGERJU-UHFFFAOYSA-N
XLogP2.80
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-propylsulfonylpiperidin-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 30855376
4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 46700471
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55859103
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 9268823
N-cyclopropyl-2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 8023741
N'-(cyclopropanecarbonyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide
CID 34259031
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 43748006
4-(5-methylpyrazol-1-yl)-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 46455876
N-cyclopentyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 9265218
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-piperidin-1-ylpropyl)benzamide
CID 31093025
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 75527487
N-(1-butylsulfonylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 108563028

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-propylsulfonylpiperidin-4-yl)benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-propylsulfonylpiperidin-4-yl)benzamide (CID 46456125) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-propylsulfonylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-propylsulfonylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-propylsulfonylpiperidin-4-yl)benzamide is CCCS(=O)(=O)N1CCC(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)CC1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-propylsulfonylpiperidin-4-yl)benzamide?
The InChIKey is FXZGXAMZCGERJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5S/c1-4-13-30(26,27)24-11-9-18(10-12-24)22-21(25)17-5-7-19(8-6-17)28-14-20-15(2)23-29-16(20)3/h5-8,18H,4,9-14H2,1-3H3,(H,22,25).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-propylsulfonylpiperidin-4-yl)benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-propylsulfonylpiperidin-4-yl)benzamide has a molecular weight of 435.55 g/mol, XLogP of 2.80, 8 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-propylsulfonylpiperidin-4-yl)benzamide is sourced from PubChem (CID 46456125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).