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

C23H28FN5O2 — CID 45194598

IUPACN-[[1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(F)cc2CN2CCCC(CNC(=O)c3cc(C)on3)C2)n1
InChIInChI=1S/C23H28FN5O2/c1-15-9-16(2)29(26-15)22-7-6-20(24)11-19(22)14-28-8-4-5-18(13-28)12-25-23(30)21-10-17(3)31-27-21/h6-7,9-11,18H,4-5,8,12-14H2,1-3H3,(H,25,30)
InChIKeyVGNZMNVXZYYOHK-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.57
Rot. Bonds6

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

N-[[1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 45194598) has the molecular formula C23H28FN5O2 and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[[1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID45194598
Molecular FormulaC23H28FN5O2
Molecular Weight425.51 g/mol
Exact Mass425.22
IUPAC NameN-[[1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(F)cc2CN2CCCC(CNC(=O)c3cc(C)on3)C2)n1
InChIInChI=1S/C23H28FN5O2/c1-15-9-16(2)29(26-15)22-7-6-20(24)11-19(22)14-28-8-4-5-18(13-28)12-25-23(30)21-10-17(3)31-27-21/h6-7,9-11,18H,4-5,8,12-14H2,1-3H3,(H,25,30)
InChIKeyVGNZMNVXZYYOHK-UHFFFAOYSA-N
XLogP3.57
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3S)-1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole
CID 99929696
5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 45170548
(1S,5R)-3-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 56907099
(3aS,5S,6R,7aR)-2-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 77086900
5-methyl-N-[[(3S)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 97271643
4-fluoro-N-[[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]methyl]benzamide
CID 42348231
3-amino-1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]pyrrolidine-3-carboxylic acid
CID 56701671
(4R,5R)-7-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 165424063
N-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 23723823
2,4-difluoro-N-[[(3S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95223619
1-[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 113499435
2-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 50972250

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 45194598) is N-[[1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C)n(-c2ccc(F)cc2CN2CCCC(CNC(=O)c3cc(C)on3)C2)n1.
What is the InChIKey of N-[[1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is VGNZMNVXZYYOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O2/c1-15-9-16(2)29(26-15)22-7-6-20(24)11-19(22)14-28-8-4-5-18(13-28)12-25-23(30)21-10-17(3)31-27-21/h6-7,9-11,18H,4-5,8,12-14H2,1-3H3,(H,25,30).
What are the key properties of N-[[1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[[1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 45194598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).