N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-1-chloropyrazole-3-carboxamide

C15H15ClFN5O2 — CID 123843561

IUPACN-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-1-chloropyrazole-3-carboxamide
SMILESC[C@@]1(c2cc(NC(=O)c3ccn(Cl)n3)ccc2F)CCOC(N)=N1
InChIInChI=1S/C15H15ClFN5O2/c1-15(5-7-24-14(18)20-15)10-8-9(2-3-11(10)17)19-13(23)12-4-6-22(16)21-12/h2-4,6,8H,5,7H2,1H3,(H2,18,20)(H,19,23)/t15-/m0/s1
InChIKeyXAKAMBRTGMUYJX-HNNXBMFYSA-N
MW351.77 g/mol
LogP2.23
Rot. Bonds3

About N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-1-chloropyrazole-3-carboxamide

N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-1-chloropyrazole-3-carboxamide (PubChem CID 123843561) has the molecular formula C15H15ClFN5O2 and a molecular weight of 351.77 g/mol. Its IUPAC name is N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-1-chloropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-1-chloropyrazole-3-carboxamide
PubChem CID123843561
Molecular FormulaC15H15ClFN5O2
Molecular Weight351.77 g/mol
Exact Mass351.09
IUPAC NameN-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-1-chloropyrazole-3-carboxamide
SMILESC[C@@]1(c2cc(NC(=O)c3ccn(Cl)n3)ccc2F)CCOC(N)=N1
InChIInChI=1S/C15H15ClFN5O2/c1-15(5-7-24-14(18)20-15)10-8-9(2-3-11(10)17)19-13(23)12-4-6-22(16)21-12/h2-4,6,8H,5,7H2,1H3,(H2,18,20)(H,19,23)/t15-/m0/s1
InChIKeyXAKAMBRTGMUYJX-HNNXBMFYSA-N
XLogP2.23
TPSA94.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.77
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide
CID 53241553
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-4-chloro-1H-pyrazole-5-carboxamide
CID 67236293
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]thieno[2,3-c]pyridine-7-carboxamide
CID 53241346
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(difluoromethyl)pyrazole-3-carboxamide
CID 53241206
N-[3-[(5S)-3-amino-5-methyl-6,7-dihydro-2H-1,4-oxazepin-5-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 54579581
N-[3-[(4S)-2-amino-4-(difluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-fluoropyrazine-2-carboxamide
CID 74222189
N-[3-[(4S)-2-amino-4-ethyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 53230335
(4S)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine;N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-3-chloro-1-methylpyrazole-5-carboxamide
CID 161354874
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-1,3-oxazole-4-carboxamide
CID 53241006
N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-1,3-oxazole-4-carboxamide
CID 89094950
N-[3-[(4S)-2-amino-4-(difluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyrazine-2-carboxamide
CID 74222187
N-[3-[(2S)-6-amino-2,5,5-trimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 140946078

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-1-chloropyrazole-3-carboxamide?
The IUPAC name of N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-1-chloropyrazole-3-carboxamide (CID 123843561) is N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-1-chloropyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-1-chloropyrazole-3-carboxamide?
The canonical SMILES for N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-1-chloropyrazole-3-carboxamide is C[C@@]1(c2cc(NC(=O)c3ccn(Cl)n3)ccc2F)CCOC(N)=N1.
What is the InChIKey of N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-1-chloropyrazole-3-carboxamide?
The InChIKey is XAKAMBRTGMUYJX-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H15ClFN5O2/c1-15(5-7-24-14(18)20-15)10-8-9(2-3-11(10)17)19-13(23)12-4-6-22(16)21-12/h2-4,6,8H,5,7H2,1H3,(H2,18,20)(H,19,23)/t15-/m0/s1.
What are the key properties of N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-1-chloropyrazole-3-carboxamide?
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-1-chloropyrazole-3-carboxamide has a molecular weight of 351.77 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-1-chloropyrazole-3-carboxamide is sourced from PubChem (CID 123843561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).