N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-6-[5-(2-methyl-6-oxo-1H-pyridin-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide

C23H22FN5O3 — CID 89156431

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-6-[5-(2-methyl-6-oxo-1H-pyridin-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccc(F)c(C)c2)cc(C2=NOC(c3ccc(=O)[nH]c3C)C2)n1
InChIInChI=1S/C23H22FN5O3/c1-12-8-15(4-6-17(12)24)11-25-23(31)20-9-18(27-14(3)28-20)19-10-21(32-29-19)16-5-7-22(30)26-13(16)2/h4-9,21H,10-11H2,1-3H3,(H,25,31)(H,26,30)
InChIKeyBIAHQYXQQQFPRR-UHFFFAOYSA-N
MW435.46 g/mol
LogP3.02
Rot. Bonds5

About N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-6-[5-(2-methyl-6-oxo-1H-pyridin-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide

N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-6-[5-(2-methyl-6-oxo-1H-pyridin-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide (PubChem CID 89156431) has the molecular formula C23H22FN5O3 and a molecular weight of 435.46 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-6-[5-(2-methyl-6-oxo-1H-pyridin-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-6-[5-(2-methyl-6-oxo-1H-pyridin-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide
PubChem CID89156431
Molecular FormulaC23H22FN5O3
Molecular Weight435.46 g/mol
Exact Mass435.17
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-6-[5-(2-methyl-6-oxo-1H-pyridin-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccc(F)c(C)c2)cc(C2=NOC(c3ccc(=O)[nH]c3C)C2)n1
InChIInChI=1S/C23H22FN5O3/c1-12-8-15(4-6-17(12)24)11-25-23(31)20-9-18(27-14(3)28-20)19-10-21(32-29-19)16-5-7-22(30)26-13(16)2/h4-9,21H,10-11H2,1-3H3,(H,25,31)(H,26,30)
InChIKeyBIAHQYXQQQFPRR-UHFFFAOYSA-N
XLogP3.02
TPSA109.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-6-[5-(2-methyl-6-oxo-1H-pyridin-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-6-[5-(2-methyl-6-oxo-1H-pyridin-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide (CID 89156431) is N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-6-[5-(2-methyl-6-oxo-1H-pyridin-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-6-[5-(2-methyl-6-oxo-1H-pyridin-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-6-[5-(2-methyl-6-oxo-1H-pyridin-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide is Cc1nc(C(=O)NCc2ccc(F)c(C)c2)cc(C2=NOC(c3ccc(=O)[nH]c3C)C2)n1.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-6-[5-(2-methyl-6-oxo-1H-pyridin-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide?
The InChIKey is BIAHQYXQQQFPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3/c1-12-8-15(4-6-17(12)24)11-25-23(31)20-9-18(27-14(3)28-20)19-10-21(32-29-19)16-5-7-22(30)26-13(16)2/h4-9,21H,10-11H2,1-3H3,(H,25,31)(H,26,30).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-6-[5-(2-methyl-6-oxo-1H-pyridin-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide?
N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-6-[5-(2-methyl-6-oxo-1H-pyridin-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide has a molecular weight of 435.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-6-[5-(2-methyl-6-oxo-1H-pyridin-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 89156431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).