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

C20H27N3O3 — CID 95813060

IUPAC3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCOc1cccc(CN2CCC[C@H](c3cc(C(=O)NC(C)C)on3)C2)c1
InChIInChI=1S/C20H27N3O3/c1-14(2)21-20(24)19-11-18(22-26-19)16-7-5-9-23(13-16)12-15-6-4-8-17(10-15)25-3/h4,6,8,10-11,14,16H,5,7,9,12-13H2,1-3H3,(H,21,24)/t16-/m0/s1
InChIKeyJPYSKCHWARBEBK-INIZCTEOSA-N
MW357.45 g/mol
LogP3.20
Rot. Bonds6

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

3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 95813060) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID95813060
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCOc1cccc(CN2CCC[C@H](c3cc(C(=O)NC(C)C)on3)C2)c1
InChIInChI=1S/C20H27N3O3/c1-14(2)21-20(24)19-11-18(22-26-19)16-7-5-9-23(13-16)12-15-6-4-8-17(10-15)25-3/h4,6,8,10-11,14,16H,5,7,9,12-13H2,1-3H3,(H,21,24)/t16-/m0/s1
InChIKeyJPYSKCHWARBEBK-INIZCTEOSA-N
XLogP3.20
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-phenyl-1,2-oxazole-5-carboxamide
CID 110252055
N-[(4-methoxyphenyl)methyl]-3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92596071
N-(1-benzylpiperidin-4-yl)-3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110089253
[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
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
3-[(3R)-1-benzylpiperidin-3-yl]-N-cyclohexyl-1,2-oxazole-5-carboxamide
CID 92574817
N-cyclohexyl-3-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 124961712

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-propan-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-propan-2-yl-1,2-oxazole-5-carboxamide (CID 95813060) is 3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-propan-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-propan-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-propan-2-yl-1,2-oxazole-5-carboxamide is COc1cccc(CN2CCC[C@H](c3cc(C(=O)NC(C)C)on3)C2)c1.
What is the InChIKey of 3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-propan-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is JPYSKCHWARBEBK-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14(2)21-20(24)19-11-18(22-26-19)16-7-5-9-23(13-16)12-15-6-4-8-17(10-15)25-3/h4,6,8,10-11,14,16H,5,7,9,12-13H2,1-3H3,(H,21,24)/t16-/m0/s1.
What are the key properties of 3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-propan-2-yl-1,2-oxazole-5-carboxamide?
3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-propan-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 95813060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).