4-[3-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propoxy]benzamide

C19H25N3O3 — CID 91839674

IUPAC4-[3-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propoxy]benzamide
SMILESCc1cc(C2CCCCN2CCCOc2ccc(C(N)=O)cc2)no1
InChIInChI=1S/C19H25N3O3/c1-14-13-17(21-25-14)18-5-2-3-10-22(18)11-4-12-24-16-8-6-15(7-9-16)19(20)23/h6-9,13,18H,2-5,10-12H2,1H3,(H2,20,23)
InChIKeyXBCVLCRHQWWUBQ-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.08
Rot. Bonds7

About 4-[3-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propoxy]benzamide

4-[3-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propoxy]benzamide (PubChem CID 91839674) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-[3-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propoxy]benzamide.

Molecular Properties

Compound Name4-[3-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propoxy]benzamide
PubChem CID91839674
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name4-[3-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propoxy]benzamide
SMILESCc1cc(C2CCCCN2CCCOc2ccc(C(N)=O)cc2)no1
InChIInChI=1S/C19H25N3O3/c1-14-13-17(21-25-14)18-5-2-3-10-22(18)11-4-12-24-16-8-6-15(7-9-16)19(20)23/h6-9,13,18H,2-5,10-12H2,1H3,(H2,20,23)
InChIKeyXBCVLCRHQWWUBQ-UHFFFAOYSA-N
XLogP3.08
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.08
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

1-[3-(4-carbamoylphenoxy)propyl]piperidine-2-carboxylic acid
CID 122562043
N,N-dimethyl-3-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propane-1-sulfonamide
CID 125166536
N,N-dimethyl-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propane-1-sulfonamide
CID 125166534
3-[(2S)-1-[3-(furan-2-yl)propyl]piperidin-2-yl]-5-methyl-1,2-oxazole
CID 125175909
4-[3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]propoxy]benzamide
CID 67234428
methyl 4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]benzoate
CID 50809341
4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 91431700
N-(2-ethoxyphenyl)-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propanamide
CID 91842043
N-(5-chloro-2-pyridinyl)-2-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]acetamide
CID 124754090
2-[2-ethoxy-4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenoxy]acetamide
CID 50809493
4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]benzamide
CID 53230350
N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propanamide
CID 124758101

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propoxy]benzamide?
The IUPAC name of 4-[3-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propoxy]benzamide (CID 91839674) is 4-[3-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propoxy]benzamide.
What is the SMILES notation for 4-[3-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propoxy]benzamide?
The canonical SMILES for 4-[3-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propoxy]benzamide is Cc1cc(C2CCCCN2CCCOc2ccc(C(N)=O)cc2)no1.
What is the InChIKey of 4-[3-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propoxy]benzamide?
The InChIKey is XBCVLCRHQWWUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-13-17(21-25-14)18-5-2-3-10-22(18)11-4-12-24-16-8-6-15(7-9-16)19(20)23/h6-9,13,18H,2-5,10-12H2,1H3,(H2,20,23).
What are the key properties of 4-[3-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propoxy]benzamide?
4-[3-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propoxy]benzamide has a molecular weight of 343.43 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propoxy]benzamide is sourced from PubChem (CID 91839674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).