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

C15H15ClFN5O2 — CID 67236293

IUPACN-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-4-chloro-1H-pyrazole-5-carboxamide
SMILESC[C@@]1(c2cc(NC(=O)c3[nH]ncc3Cl)ccc2F)CCOC(N)=N1
InChIInChI=1S/C15H15ClFN5O2/c1-15(4-5-24-14(18)21-15)9-6-8(2-3-11(9)17)20-13(23)12-10(16)7-19-22-12/h2-3,6-7H,4-5H2,1H3,(H2,18,21)(H,19,22)(H,20,23)/t15-/m0/s1
InChIKeyXLEKBVQPUKUOPU-HNNXBMFYSA-N
MW351.77 g/mol
LogP2.40
Rot. Bonds3

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

N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-4-chloro-1H-pyrazole-5-carboxamide (PubChem CID 67236293) 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]-4-chloro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-4-chloro-1H-pyrazole-5-carboxamide
PubChem CID67236293
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]-4-chloro-1H-pyrazole-5-carboxamide
SMILESC[C@@]1(c2cc(NC(=O)c3[nH]ncc3Cl)ccc2F)CCOC(N)=N1
InChIInChI=1S/C15H15ClFN5O2/c1-15(4-5-24-14(18)21-15)9-6-8(2-3-11(9)17)20-13(23)12-10(16)7-19-22-12/h2-3,6-7H,4-5H2,1H3,(H2,18,21)(H,19,22)(H,20,23)/t15-/m0/s1
InChIKeyXLEKBVQPUKUOPU-HNNXBMFYSA-N
XLogP2.40
TPSA105.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.77
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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]-1-chloropyrazole-3-carboxamide
CID 123843561
N-[3-(3-amino-5-ethyl-6,6-difluoro-2,7-dihydro-1,4-oxazepin-5-yl)-4-fluorophenyl]-4-chloro-1H-pyrazole-5-carboxamide
CID 67466581
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-[(5S)-3-amino-5-methyl-6,7-dihydro-2H-1,4-oxazepin-5-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 54579581
N-[3-[(5S)-3-amino-5-methyl-6,7-dihydro-2H-1,4-oxazepin-5-yl]-4-fluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide
CID 54576280
N-[3-[(4S)-2-amino-4-(difluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-fluoropyrazine-2-carboxamide
CID 74222189
4-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 55177446
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
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-3-chloropyridine-2-carboxamide
CID 53241711
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-(5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl)-4-fluorophenyl]-4-chlorobenzamide
CID 77143136

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]-4-chloro-1H-pyrazole-5-carboxamide?
The IUPAC name of 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) is N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-4-chloro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-4-chloro-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-4-chloro-1H-pyrazole-5-carboxamide is C[C@@]1(c2cc(NC(=O)c3[nH]ncc3Cl)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]-4-chloro-1H-pyrazole-5-carboxamide?
The InChIKey is XLEKBVQPUKUOPU-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H15ClFN5O2/c1-15(4-5-24-14(18)21-15)9-6-8(2-3-11(9)17)20-13(23)12-10(16)7-19-22-12/h2-3,6-7H,4-5H2,1H3,(H2,18,21)(H,19,22)(H,20,23)/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]-4-chloro-1H-pyrazole-5-carboxamide?
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-4-chloro-1H-pyrazole-5-carboxamide has a molecular weight of 351.77 g/mol, XLogP of 2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 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]-4-chloro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 67236293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).