3-(4-fluorophenyl)-5-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one

C25H24FN5O3 — CID 20922476

IUPAC3-(4-fluorophenyl)-5-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESCc1cccc(N2CCN(C(=O)Cn3cnc4onc(-c5ccc(F)cc5)c4c3=O)CC2C)c1
InChIInChI=1S/C25H24FN5O3/c1-16-4-3-5-20(12-16)31-11-10-29(13-17(31)2)21(32)14-30-15-27-24-22(25(30)33)23(28-34-24)18-6-8-19(26)9-7-18/h3-9,12,15,17H,10-11,13-14H2,1-2H3
InChIKeyMPYXNZZUDWYNDQ-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.24
Rot. Bonds4

About 3-(4-fluorophenyl)-5-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one

3-(4-fluorophenyl)-5-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one (PubChem CID 20922476) has the molecular formula C25H24FN5O3 and a molecular weight of 461.50 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
PubChem CID20922476
Molecular FormulaC25H24FN5O3
Molecular Weight461.50 g/mol
Exact Mass461.19
IUPAC Name3-(4-fluorophenyl)-5-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESCc1cccc(N2CCN(C(=O)Cn3cnc4onc(-c5ccc(F)cc5)c4c3=O)CC2C)c1
InChIInChI=1S/C25H24FN5O3/c1-16-4-3-5-20(12-16)31-11-10-29(13-17(31)2)21(32)14-30-15-27-24-22(25(30)33)23(28-34-24)18-6-8-19(26)9-7-18/h3-9,12,15,17H,10-11,13-14H2,1-2H3
InChIKeyMPYXNZZUDWYNDQ-UHFFFAOYSA-N
XLogP3.24
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-5-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one (CID 20922476) is 3-(4-fluorophenyl)-5-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-5-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one is Cc1cccc(N2CCN(C(=O)Cn3cnc4onc(-c5ccc(F)cc5)c4c3=O)CC2C)c1.
What is the InChIKey of 3-(4-fluorophenyl)-5-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The InChIKey is MPYXNZZUDWYNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O3/c1-16-4-3-5-20(12-16)31-11-10-29(13-17(31)2)21(32)14-30-15-27-24-22(25(30)33)23(28-34-24)18-6-8-19(26)9-7-18/h3-9,12,15,17H,10-11,13-14H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-5-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
3-(4-fluorophenyl)-5-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one has a molecular weight of 461.50 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 20922476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).