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

C22H31N3O3 — CID 9472943

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)NCCCN2CCCC[C@@H]2C)c1
InChIInChI=1S/C22H31N3O3/c1-16-8-4-5-12-25(16)13-7-11-23-22(26)19-9-6-10-20(14-19)27-15-21-17(2)24-28-18(21)3/h6,9-10,14,16H,4-5,7-8,11-13,15H2,1-3H3,(H,23,26)/t16-/m0/s1
InChIKeyBXNVZWPIKRJIIG-INIZCTEOSA-N
MW385.51 g/mol
LogP3.86
Rot. Bonds8

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

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide (PubChem CID 9472943) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
PubChem CID9472943
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)NCCCN2CCCC[C@@H]2C)c1
InChIInChI=1S/C22H31N3O3/c1-16-8-4-5-12-25(16)13-7-11-23-22(26)19-9-6-10-20(14-19)27-15-21-17(2)24-28-18(21)3/h6,9-10,14,16H,4-5,7-8,11-13,15H2,1-3H3,(H,23,26)/t16-/m0/s1
InChIKeyBXNVZWPIKRJIIG-INIZCTEOSA-N
XLogP3.86
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methylpiperidin-1-yl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 51266645
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]benzamide
CID 55620780
N-[2-(cyclopropanecarbonylamino)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 32969083
3-(2-amino-2-oxoethoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]benzamide
CID 94120837
methyl 4-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]butanoate
CID 2530370
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-methylpiperidin-3-yl)benzamide
CID 71938524
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide
CID 55484005
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-piperidin-1-ylpropyl)benzamide
CID 31093025
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
methyl 3-[4-(2-methylpiperidin-1-yl)butylcarbamoyl]benzoate
CID 60516453
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 29332836
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
CID 17441984

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide (CID 9472943) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide is Cc1noc(C)c1COc1cccc(C(=O)NCCCN2CCCC[C@@H]2C)c1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide?
The InChIKey is BXNVZWPIKRJIIG-INIZCTEOSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-16-8-4-5-12-25(16)13-7-11-23-22(26)19-9-6-10-20(14-19)27-15-21-17(2)24-28-18(21)3/h6,9-10,14,16H,4-5,7-8,11-13,15H2,1-3H3,(H,23,26)/t16-/m0/s1.
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide has a molecular weight of 385.51 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide is sourced from PubChem (CID 9472943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).