N-[3-(2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-2-carboxamide

C18H20FN5O3 — CID 75288694

IUPACN-[3-(2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-2-carboxamide
SMILESCN1C(=O)C(C)(C)C(C)(c2cc(NC(=O)c3ncco3)ccc2F)N=C1N
InChIInChI=1S/C18H20FN5O3/c1-17(2)15(26)24(4)16(20)23-18(17,3)11-9-10(5-6-12(11)19)22-13(25)14-21-7-8-27-14/h5-9H,1-4H3,(H2,20,23)(H,22,25)
InChIKeyRLHTUCKKSYAECS-UHFFFAOYSA-N
MW373.39 g/mol
LogP2.09
Rot. Bonds3

About N-[3-(2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-2-carboxamide

N-[3-(2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-2-carboxamide (PubChem CID 75288694) has the molecular formula C18H20FN5O3 and a molecular weight of 373.39 g/mol. Its IUPAC name is N-[3-(2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-2-carboxamide
PubChem CID75288694
Molecular FormulaC18H20FN5O3
Molecular Weight373.39 g/mol
Exact Mass373.16
IUPAC NameN-[3-(2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-2-carboxamide
SMILESCN1C(=O)C(C)(C)C(C)(c2cc(NC(=O)c3ncco3)ccc2F)N=C1N
InChIInChI=1S/C18H20FN5O3/c1-17(2)15(26)24(4)16(20)23-18(17,3)11-9-10(5-6-12(11)19)22-13(25)14-21-7-8-27-14/h5-9H,1-4H3,(H2,20,23)(H,22,25)
InChIKeyRLHTUCKKSYAECS-UHFFFAOYSA-N
XLogP2.09
TPSA113.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-1,3-oxazole-2-carboxamide
CID 49820841
N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1,3-oxazole-2-carboxamide
CID 50991316
(6S)-2-amino-6-[2-fluoro-5-[(2-methyl-1,3-oxazol-4-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 57497082
N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 59570600
2-Amino-6-[2-fluoro-5-[(2-methyl-1,3-oxazol-4-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 66727386
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-5-[2-(dimethylamino)ethoxy]pyrazine-2-carboxamide
CID 68236297
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 70232329
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-5-(2-methylpropoxy)pyrazine-2-carboxamide
CID 70232482
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-4-carboxamide
CID 70234192
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-5-ethoxypyrazine-2-carboxamide
CID 70234559
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-5-[2-(methylamino)ethoxy]pyrazine-2-carboxamide
CID 70234629
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-5-but-3-enoxypyrazine-2-carboxamide
CID 70234864

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[3-(2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-2-carboxamide (CID 75288694) is N-[3-(2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[3-(2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[3-(2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-2-carboxamide is CN1C(=O)C(C)(C)C(C)(c2cc(NC(=O)c3ncco3)ccc2F)N=C1N.
What is the InChIKey of N-[3-(2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-2-carboxamide?
The InChIKey is RLHTUCKKSYAECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O3/c1-17(2)15(26)24(4)16(20)23-18(17,3)11-9-10(5-6-12(11)19)22-13(25)14-21-7-8-27-14/h5-9H,1-4H3,(H2,20,23)(H,22,25).
What are the key properties of N-[3-(2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-2-carboxamide?
N-[3-(2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-2-carboxamide has a molecular weight of 373.39 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 75288694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).