[4-[5-fluoro-6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

C20H20FN5O3 — CID 139027777

IUPAC[4-[5-fluoro-6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCOc1ccc(-c2ncnc(N3CCN(C(=O)c4cc(C)on4)CC3)c2F)cc1
InChIInChI=1S/C20H20FN5O3/c1-13-11-16(24-29-13)20(27)26-9-7-25(8-10-26)19-17(21)18(22-12-23-19)14-3-5-15(28-2)6-4-14/h3-6,11-12H,7-10H2,1-2H3
InChIKeyRPVTWMYVVGMEKS-UHFFFAOYSA-N
MW397.41 g/mol
LogP2.55
Rot. Bonds4

About [4-[5-fluoro-6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

[4-[5-fluoro-6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 139027777) has the molecular formula C20H20FN5O3 and a molecular weight of 397.41 g/mol. Its IUPAC name is [4-[5-fluoro-6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[5-fluoro-6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID139027777
Molecular FormulaC20H20FN5O3
Molecular Weight397.41 g/mol
Exact Mass397.16
IUPAC Name[4-[5-fluoro-6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCOc1ccc(-c2ncnc(N3CCN(C(=O)c4cc(C)on4)CC3)c2F)cc1
InChIInChI=1S/C20H20FN5O3/c1-13-11-16(24-29-13)20(27)26-9-7-25(8-10-26)19-17(21)18(22-12-23-19)14-3-5-15(28-2)6-4-14/h3-6,11-12H,7-10H2,1-2H3
InChIKeyRPVTWMYVVGMEKS-UHFFFAOYSA-N
XLogP2.55
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[5-fluoro-6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-[5-fluoro-6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 139027777) is [4-[5-fluoro-6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-[5-fluoro-6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-[5-fluoro-6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is COc1ccc(-c2ncnc(N3CCN(C(=O)c4cc(C)on4)CC3)c2F)cc1.
What is the InChIKey of [4-[5-fluoro-6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is RPVTWMYVVGMEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O3/c1-13-11-16(24-29-13)20(27)26-9-7-25(8-10-26)19-17(21)18(22-12-23-19)14-3-5-15(28-2)6-4-14/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of [4-[5-fluoro-6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[4-[5-fluoro-6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 397.41 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-fluoro-6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 139027777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).