4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-oxazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine

C26H20FN5O — CID 18515969

IUPAC4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-oxazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine
SMILESCC(Nc1nccc(-c2oc(-c3ccncc3)nc2-c2ccc(F)cc2)n1)c1ccccc1
InChIInChI=1S/C26H20FN5O/c1-17(18-5-3-2-4-6-18)30-26-29-16-13-22(31-26)24-23(19-7-9-21(27)10-8-19)32-25(33-24)20-11-14-28-15-12-20/h2-17H,1H3,(H,29,30,31)
InChIKeyBBICRYPQRHEQGA-UHFFFAOYSA-N
MW437.48 g/mol
LogP6.17
Rot. Bonds6

About 4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-oxazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine

4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-oxazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine (PubChem CID 18515969) has the molecular formula C26H20FN5O and a molecular weight of 437.48 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-oxazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-oxazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine
PubChem CID18515969
Molecular FormulaC26H20FN5O
Molecular Weight437.48 g/mol
Exact Mass437.17
IUPAC Name4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-oxazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine
SMILESCC(Nc1nccc(-c2oc(-c3ccncc3)nc2-c2ccc(F)cc2)n1)c1ccccc1
InChIInChI=1S/C26H20FN5O/c1-17(18-5-3-2-4-6-18)30-26-29-16-13-22(31-26)24-23(19-7-9-21(27)10-8-19)32-25(33-24)20-11-14-28-15-12-20/h2-17H,1H3,(H,29,30,31)
InChIKeyBBICRYPQRHEQGA-UHFFFAOYSA-N
XLogP6.17
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.48
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(4-fluorophenyl)-3-(2-fluoropropan-2-yl)imidazol-4-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 162424582
4-(4-fluorophenyl)-1,2-dimethyl-5-[2-(1-phenylethylamino)pyrimidin-4-yl]pyrazol-3-one
CID 10309728
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 22486140
4-[5-(4-fluorophenyl)-3-(3,3,3-trifluoropropyl)imidazol-4-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;sulfane
CID 163562723
4-[5-(4-fluorophenyl)-3-(oxolan-3-yl)triazol-4-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 22675213
4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 22486148
4-[2-(4-fluorophenyl)-7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 58824370
2-(4-fluorophenyl)-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazole-4-carbaldehyde
CID 59070938
4-[4-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)pyrrol-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 59988454
4-[2-(4-fluorophenyl)-4-thiophen-2-ylimidazol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 20594027
methyl 4-[4-(4-fluorophenyl)-5-[2-(1-phenylethylamino)pyrimidin-4-yl]triazol-1-yl]benzoate
CID 10117476
N-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide;3-methoxy-5-(2-phenyl-4-pyridin-4-yl-1,3-oxazol-5-yl)pyrazin-2-amine;3-methoxy-5-(2-phenyl-4-pyridin-4-yl-1,3-oxazol-5-yl)pyridin-2-amine;3-methoxy-5-(2-phenyl-5-pyridin-4-yl-1,3-oxazol-4-yl)pyridin-2-amine
CID 159361300

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-oxazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine?
The IUPAC name of 4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-oxazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine (CID 18515969) is 4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-oxazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-oxazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-oxazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine is CC(Nc1nccc(-c2oc(-c3ccncc3)nc2-c2ccc(F)cc2)n1)c1ccccc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-oxazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine?
The InChIKey is BBICRYPQRHEQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O/c1-17(18-5-3-2-4-6-18)30-26-29-16-13-22(31-26)24-23(19-7-9-21(27)10-8-19)32-25(33-24)20-11-14-28-15-12-20/h2-17H,1H3,(H,29,30,31).
What are the key properties of 4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-oxazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine?
4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-oxazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine has a molecular weight of 437.48 g/mol, XLogP of 6.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-oxazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine is sourced from PubChem (CID 18515969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).