N-(2-fluorophenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide

C21H22FN5O2 — CID 16670294

IUPACN-(2-fluorophenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide
SMILESCc1cc(-c2cnc(C)nc2C2CCCN(C(=O)Nc3ccccc3F)C2)on1
InChIInChI=1S/C21H22FN5O2/c1-13-10-19(29-26-13)16-11-23-14(2)24-20(16)15-6-5-9-27(12-15)21(28)25-18-8-4-3-7-17(18)22/h3-4,7-8,10-11,15H,5-6,9,12H2,1-2H3,(H,25,28)
InChIKeyFAMZLAZCBIVNGK-UHFFFAOYSA-N
MW395.44 g/mol
LogP4.30
Rot. Bonds3

About N-(2-fluorophenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide

N-(2-fluorophenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide (PubChem CID 16670294) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide
PubChem CID16670294
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC NameN-(2-fluorophenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide
SMILESCc1cc(-c2cnc(C)nc2C2CCCN(C(=O)Nc3ccccc3F)C2)on1
InChIInChI=1S/C21H22FN5O2/c1-13-10-19(29-26-13)16-11-23-14(2)24-20(16)15-6-5-9-27(12-15)21(28)25-18-8-4-3-7-17(18)22/h3-4,7-8,10-11,15H,5-6,9,12H2,1-2H3,(H,25,28)
InChIKeyFAMZLAZCBIVNGK-UHFFFAOYSA-N
XLogP4.30
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide (CID 16670294) is N-(2-fluorophenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide is Cc1cc(-c2cnc(C)nc2C2CCCN(C(=O)Nc3ccccc3F)C2)on1.
What is the InChIKey of N-(2-fluorophenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide?
The InChIKey is FAMZLAZCBIVNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-13-10-19(29-26-13)16-11-23-14(2)24-20(16)15-6-5-9-27(12-15)21(28)25-18-8-4-3-7-17(18)22/h3-4,7-8,10-11,15H,5-6,9,12H2,1-2H3,(H,25,28).
What are the key properties of N-(2-fluorophenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide?
N-(2-fluorophenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 16670294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).