3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-phenyl-1,2-oxazole-5-carboxamide

C23H25N3O3 — CID 110252055

IUPAC3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-phenyl-1,2-oxazole-5-carboxamide
SMILESCOc1cccc(CN2CCCC(c3cc(C(=O)Nc4ccccc4)on3)C2)c1
InChIInChI=1S/C23H25N3O3/c1-28-20-11-5-7-17(13-20)15-26-12-6-8-18(16-26)21-14-22(29-25-21)23(27)24-19-9-3-2-4-10-19/h2-5,7,9-11,13-14,18H,6,8,12,15-16H2,1H3,(H,24,27)
InChIKeyBCVGBYLMBUQLPS-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.32
Rot. Bonds6

About 3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-phenyl-1,2-oxazole-5-carboxamide

3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 110252055) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-phenyl-1,2-oxazole-5-carboxamide
PubChem CID110252055
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-phenyl-1,2-oxazole-5-carboxamide
SMILESCOc1cccc(CN2CCCC(c3cc(C(=O)Nc4ccccc4)on3)C2)c1
InChIInChI=1S/C23H25N3O3/c1-28-20-11-5-7-17(13-20)15-26-12-6-8-18(16-26)21-14-22(29-25-21)23(27)24-19-9-3-2-4-10-19/h2-5,7,9-11,13-14,18H,6,8,12,15-16H2,1H3,(H,24,27)
InChIKeyBCVGBYLMBUQLPS-UHFFFAOYSA-N
XLogP4.32
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 95813060
N-(1-benzylpiperidin-4-yl)-3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110089253
N-[(4-methoxyphenyl)methyl]-3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92596071
[3-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 92599802
N-[(3-methoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110229025
3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 110229030
N-cyclohexyl-3-[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 95811596
3-[(3R)-1-benzylpiperidin-3-yl]-N-cyclohexyl-1,2-oxazole-5-carboxamide
CID 92574817
3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 110229083
N-cyclohexyl-3-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 124999270
N-[(4-methoxyphenyl)methyl]-3-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92596082
N-[(4-methoxyphenyl)methyl]-3-[1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110228971

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-phenyl-1,2-oxazole-5-carboxamide (CID 110252055) is 3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-phenyl-1,2-oxazole-5-carboxamide is COc1cccc(CN2CCCC(c3cc(C(=O)Nc4ccccc4)on3)C2)c1.
What is the InChIKey of 3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is BCVGBYLMBUQLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-28-20-11-5-7-17(13-20)15-26-12-6-8-18(16-26)21-14-22(29-25-21)23(27)24-19-9-3-2-4-10-19/h2-5,7,9-11,13-14,18H,6,8,12,15-16H2,1H3,(H,24,27).
What are the key properties of 3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-phenyl-1,2-oxazole-5-carboxamide?
3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 110252055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).