N-[(4-fluoro-3-methoxyphenyl)methyl]-6-[5-(1H-imidazol-5-yl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide

C20H19FN6O3 — CID 71466304

IUPACN-[(4-fluoro-3-methoxyphenyl)methyl]-6-[5-(1H-imidazol-5-yl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(C3=NOC(c4cnc[nH]4)C3)nc(C)n2)ccc1F
InChIInChI=1S/C20H19FN6O3/c1-11-25-14(15-7-19(30-27-15)17-9-22-10-24-17)6-16(26-11)20(28)23-8-12-3-4-13(21)18(5-12)29-2/h3-6,9-10,19H,7-8H2,1-2H3,(H,22,24)(H,23,28)
InChIKeyVTRGFTVUYJYTRK-UHFFFAOYSA-N
MW410.41 g/mol
LogP2.45
Rot. Bonds6

About N-[(4-fluoro-3-methoxyphenyl)methyl]-6-[5-(1H-imidazol-5-yl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide

N-[(4-fluoro-3-methoxyphenyl)methyl]-6-[5-(1H-imidazol-5-yl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide (PubChem CID 71466304) has the molecular formula C20H19FN6O3 and a molecular weight of 410.41 g/mol. Its IUPAC name is N-[(4-fluoro-3-methoxyphenyl)methyl]-6-[5-(1H-imidazol-5-yl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methoxyphenyl)methyl]-6-[5-(1H-imidazol-5-yl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide
PubChem CID71466304
Molecular FormulaC20H19FN6O3
Molecular Weight410.41 g/mol
Exact Mass410.15
IUPAC NameN-[(4-fluoro-3-methoxyphenyl)methyl]-6-[5-(1H-imidazol-5-yl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(C3=NOC(c4cnc[nH]4)C3)nc(C)n2)ccc1F
InChIInChI=1S/C20H19FN6O3/c1-11-25-14(15-7-19(30-27-15)17-9-22-10-24-17)6-16(26-11)20(28)23-8-12-3-4-13(21)18(5-12)29-2/h3-6,9-10,19H,7-8H2,1-2H3,(H,22,24)(H,23,28)
InChIKeyVTRGFTVUYJYTRK-UHFFFAOYSA-N
XLogP2.45
TPSA114.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(4-fluoro-3-methoxyphenyl)methyl]-6-[5-(1H-imidazol-5-yl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide with MolForge

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Related Compounds

N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methyl-6-(5-pyrimidin-5-yl-4,5-dihydro-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 71465738
N-[(4-fluoro-3-methoxyphenyl)methyl]-6-[(5R)-5-[4-(hydroxymethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide
CID 89184277
N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methyl-6-[5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide
CID 89184383
N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methyl-6-[5-[4-(1,3-oxazetidin-3-ylmethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide
CID 89184515
6-[3-[6-[(4-fluoro-3-methoxyphenyl)methylcarbamoyl]-2-methylpyrimidin-4-yl]-4,5-dihydro-1,2-oxazol-5-yl]pyridine-3-sulfinate
CID 89183314
N-[(4-fluoro-3-methoxyphenyl)methyl]-6-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide
CID 71466162
N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methyl-6-(5-piperidin-4-yl-4,5-dihydro-1,2-oxazol-3-yl)pyrimidine-4-carboxamide;hydrochloride
CID 71466164
N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methyl-6-[5-[1-[2-(methylamino)-2-oxoethyl]-6-oxopyridazin-3-yl]-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide
CID 89156455
N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methyl-6-[(5R)-5-[1-[2-(methylamino)-2-oxoethyl]-6-oxopyridazin-3-yl]-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide
CID 89156560
6-[5-[1-[2-(dimethylamino)-2-oxoethyl]-6-oxo-3-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 89184433
6-[5-[4-(acetamidomethyl)cyclohexyl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 89184205
6-[5-(1-ethylsulfonylpiperidin-4-yl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 71466027

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methoxyphenyl)methyl]-6-[5-(1H-imidazol-5-yl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluoro-3-methoxyphenyl)methyl]-6-[5-(1H-imidazol-5-yl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide (CID 71466304) is N-[(4-fluoro-3-methoxyphenyl)methyl]-6-[5-(1H-imidazol-5-yl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluoro-3-methoxyphenyl)methyl]-6-[5-(1H-imidazol-5-yl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluoro-3-methoxyphenyl)methyl]-6-[5-(1H-imidazol-5-yl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide is COc1cc(CNC(=O)c2cc(C3=NOC(c4cnc[nH]4)C3)nc(C)n2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methoxyphenyl)methyl]-6-[5-(1H-imidazol-5-yl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is VTRGFTVUYJYTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O3/c1-11-25-14(15-7-19(30-27-15)17-9-22-10-24-17)6-16(26-11)20(28)23-8-12-3-4-13(21)18(5-12)29-2/h3-6,9-10,19H,7-8H2,1-2H3,(H,22,24)(H,23,28).
What are the key properties of N-[(4-fluoro-3-methoxyphenyl)methyl]-6-[5-(1H-imidazol-5-yl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide?
N-[(4-fluoro-3-methoxyphenyl)methyl]-6-[5-(1H-imidazol-5-yl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 410.41 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methoxyphenyl)methyl]-6-[5-(1H-imidazol-5-yl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 71466304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).