N-[1-[(4,5-dimethylpiperidin-3-yl)methyl]pyrazol-4-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide

C21H24FN5O2 — CID 153356081

IUPACN-[1-[(4,5-dimethylpiperidin-3-yl)methyl]pyrazol-4-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESCC1CNCC(Cn2cc(NC(=O)c3cc(-c4ccccc4F)on3)cn2)C1C
InChIInChI=1S/C21H24FN5O2/c1-13-8-23-9-15(14(13)2)11-27-12-16(10-24-27)25-21(28)19-7-20(29-26-19)17-5-3-4-6-18(17)22/h3-7,10,12-15,23H,8-9,11H2,1-2H3,(H,25,28)
InChIKeyQNKKXEITVHGXPD-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.42
Rot. Bonds5

About N-[1-[(4,5-dimethylpiperidin-3-yl)methyl]pyrazol-4-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide

N-[1-[(4,5-dimethylpiperidin-3-yl)methyl]pyrazol-4-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 153356081) has the molecular formula C21H24FN5O2 and a molecular weight of 397.45 g/mol. Its IUPAC name is N-[1-[(4,5-dimethylpiperidin-3-yl)methyl]pyrazol-4-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4,5-dimethylpiperidin-3-yl)methyl]pyrazol-4-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID153356081
Molecular FormulaC21H24FN5O2
Molecular Weight397.45 g/mol
Exact Mass397.19
IUPAC NameN-[1-[(4,5-dimethylpiperidin-3-yl)methyl]pyrazol-4-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESCC1CNCC(Cn2cc(NC(=O)c3cc(-c4ccccc4F)on3)cn2)C1C
InChIInChI=1S/C21H24FN5O2/c1-13-8-23-9-15(14(13)2)11-27-12-16(10-24-27)25-21(28)19-7-20(29-26-19)17-5-3-4-6-18(17)22/h3-7,10,12-15,23H,8-9,11H2,1-2H3,(H,25,28)
InChIKeyQNKKXEITVHGXPD-UHFFFAOYSA-N
XLogP3.42
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-fluorophenyl)-N-phenyl-1,2-oxazole-3-carboxamide
CID 46480950
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 95744309
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 121145260
N-[4-(cyclopropylcarbamoylamino)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 37342518
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 146220578
5-(furan-2-yl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 121016949
5-(2-fluorophenyl)-N-[3-(methanesulfonamido)propyl]-1,2-oxazole-3-carboxamide
CID 53498114
N-(1-benzylpyrazol-4-yl)-5-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 146220638
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide
CID 146220549
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 4865164
N-(1-benzylpyrazol-4-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 147150975
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 156596090

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4,5-dimethylpiperidin-3-yl)methyl]pyrazol-4-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(4,5-dimethylpiperidin-3-yl)methyl]pyrazol-4-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide (CID 153356081) is N-[1-[(4,5-dimethylpiperidin-3-yl)methyl]pyrazol-4-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(4,5-dimethylpiperidin-3-yl)methyl]pyrazol-4-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(4,5-dimethylpiperidin-3-yl)methyl]pyrazol-4-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide is CC1CNCC(Cn2cc(NC(=O)c3cc(-c4ccccc4F)on3)cn2)C1C.
What is the InChIKey of N-[1-[(4,5-dimethylpiperidin-3-yl)methyl]pyrazol-4-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is QNKKXEITVHGXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2/c1-13-8-23-9-15(14(13)2)11-27-12-16(10-24-27)25-21(28)19-7-20(29-26-19)17-5-3-4-6-18(17)22/h3-7,10,12-15,23H,8-9,11H2,1-2H3,(H,25,28).
What are the key properties of N-[1-[(4,5-dimethylpiperidin-3-yl)methyl]pyrazol-4-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide?
N-[1-[(4,5-dimethylpiperidin-3-yl)methyl]pyrazol-4-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4,5-dimethylpiperidin-3-yl)methyl]pyrazol-4-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 153356081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).