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

C20H20FN5O2 — CID 16669869

IUPACN-(2-fluorophenyl)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide
SMILESCc1cc(-c2cncnc2C2CCCN(C(=O)Nc3ccccc3F)C2)on1
InChIInChI=1S/C20H20FN5O2/c1-13-9-18(28-25-13)15-10-22-12-23-19(15)14-5-4-8-26(11-14)20(27)24-17-7-3-2-6-16(17)21/h2-3,6-7,9-10,12,14H,4-5,8,11H2,1H3,(H,24,27)
InChIKeyIAJHRWIYWGNJPE-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.99
Rot. Bonds3

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

N-(2-fluorophenyl)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide (PubChem CID 16669869) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide
PubChem CID16669869
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC NameN-(2-fluorophenyl)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide
SMILESCc1cc(-c2cncnc2C2CCCN(C(=O)Nc3ccccc3F)C2)on1
InChIInChI=1S/C20H20FN5O2/c1-13-9-18(28-25-13)15-10-22-12-23-19(15)14-5-4-8-26(11-14)20(27)24-17-7-3-2-6-16(17)21/h2-3,6-7,9-10,12,14H,4-5,8,11H2,1H3,(H,24,27)
InChIKeyIAJHRWIYWGNJPE-UHFFFAOYSA-N
XLogP3.99
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide (CID 16669869) is N-(2-fluorophenyl)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide is Cc1cc(-c2cncnc2C2CCCN(C(=O)Nc3ccccc3F)C2)on1.
What is the InChIKey of N-(2-fluorophenyl)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide?
The InChIKey is IAJHRWIYWGNJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-13-9-18(28-25-13)15-10-22-12-23-19(15)14-5-4-8-26(11-14)20(27)24-17-7-3-2-6-16(17)21/h2-3,6-7,9-10,12,14H,4-5,8,11H2,1H3,(H,24,27).
What are the key properties of N-(2-fluorophenyl)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide?
N-(2-fluorophenyl)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 3.99, 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-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 16669869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).