N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide

C16H16F3N5O2 — CID 53241205

IUPACN-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)OCC3(F)F)c2)n1
InChIInChI=1S/C16H16F3N5O2/c1-15(16(18,19)8-26-14(20)22-15)10-7-9(3-4-11(10)17)21-13(25)12-5-6-24(2)23-12/h3-7H,8H2,1-2H3,(H2,20,22)(H,21,25)/t15-/m1/s1
InChIKeyOTZXLWIDYPQTOQ-OAHLLOKOSA-N
MW367.33 g/mol
LogP2.01
Rot. Bonds3

About N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide

N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide (PubChem CID 53241205) has the molecular formula C16H16F3N5O2 and a molecular weight of 367.33 g/mol. Its IUPAC name is N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide
PubChem CID53241205
Molecular FormulaC16H16F3N5O2
Molecular Weight367.33 g/mol
Exact Mass367.13
IUPAC NameN-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)OCC3(F)F)c2)n1
InChIInChI=1S/C16H16F3N5O2/c1-15(16(18,19)8-26-14(20)22-15)10-7-9(3-4-11(10)17)21-13(25)12-5-6-24(2)23-12/h3-7H,8H2,1-2H3,(H2,20,22)(H,21,25)/t15-/m1/s1
InChIKeyOTZXLWIDYPQTOQ-OAHLLOKOSA-N
XLogP2.01
TPSA94.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-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-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide (CID 53241205) is N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)OCC3(F)F)c2)n1.
What is the InChIKey of N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is OTZXLWIDYPQTOQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16F3N5O2/c1-15(16(18,19)8-26-14(20)22-15)10-7-9(3-4-11(10)17)21-13(25)12-5-6-24(2)23-12/h3-7H,8H2,1-2H3,(H2,20,22)(H,21,25)/t15-/m1/s1.
What are the key properties of N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide?
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 367.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 53241205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).