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

C24H26FN3O3 — CID 110229070

IUPACN-[(3-fluorophenyl)methyl]-3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1CN1CCCC(c2cc(C(=O)NCc3cccc(F)c3)on2)C1
InChIInChI=1S/C24H26FN3O3/c1-30-22-10-3-2-7-19(22)16-28-11-5-8-18(15-28)21-13-23(31-27-21)24(29)26-14-17-6-4-9-20(25)12-17/h2-4,6-7,9-10,12-13,18H,5,8,11,14-16H2,1H3,(H,26,29)
InChIKeyDWCZWNPJNAPJCU-UHFFFAOYSA-N
MW423.49 g/mol
LogP4.13
Rot. Bonds7

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

N-[(3-fluorophenyl)methyl]-3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 110229070) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID110229070
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC NameN-[(3-fluorophenyl)methyl]-3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1CN1CCCC(c2cc(C(=O)NCc3cccc(F)c3)on2)C1
InChIInChI=1S/C24H26FN3O3/c1-30-22-10-3-2-7-19(22)16-28-11-5-8-18(15-28)21-13-23(31-27-21)24(29)26-14-17-6-4-9-20(25)12-17/h2-4,6-7,9-10,12-13,18H,5,8,11,14-16H2,1H3,(H,26,29)
InChIKeyDWCZWNPJNAPJCU-UHFFFAOYSA-N
XLogP4.13
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92601835
3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 110229053
N-[(3-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110229075
3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 110229030
3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-N-[(3-fluorophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 92568673
N-[(4-methoxyphenyl)methyl]-3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92596071
N-[(3-methoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110229025
N-[(4-fluorophenyl)methyl]-3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 92568611
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
N-[(4-fluorophenyl)methyl]-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 92572794
N-(2-methoxyethyl)-3-[(3R)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92611211

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide (CID 110229070) is N-[(3-fluorophenyl)methyl]-3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide is COc1ccccc1CN1CCCC(c2cc(C(=O)NCc3cccc(F)c3)on2)C1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is DWCZWNPJNAPJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-30-22-10-3-2-7-19(22)16-28-11-5-8-18(15-28)21-13-23(31-27-21)24(29)26-14-17-6-4-9-20(25)12-17/h2-4,6-7,9-10,12-13,18H,5,8,11,14-16H2,1H3,(H,26,29).
What are the key properties of N-[(3-fluorophenyl)methyl]-3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide?
N-[(3-fluorophenyl)methyl]-3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 110229070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).