[4-[3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

C20H15F2N5O3 — CID 46359497

IUPAC[4-[3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2ncnc3onc(-c4cc(F)cc(F)c4)c23)CC1
InChIInChI=1S/C20H15F2N5O3/c21-13-8-12(9-14(22)10-13)17-16-18(23-11-24-19(16)30-25-17)26-3-5-27(6-4-26)20(28)15-2-1-7-29-15/h1-2,7-11H,3-6H2
InChIKeyLTTZNDGMNSZSST-UHFFFAOYSA-N
MW411.37 g/mol
LogP3.12
Rot. Bonds3

About [4-[3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 46359497) has the molecular formula C20H15F2N5O3 and a molecular weight of 411.37 g/mol. Its IUPAC name is [4-[3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID46359497
Molecular FormulaC20H15F2N5O3
Molecular Weight411.37 g/mol
Exact Mass411.11
IUPAC Name[4-[3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2ncnc3onc(-c4cc(F)cc(F)c4)c23)CC1
InChIInChI=1S/C20H15F2N5O3/c21-13-8-12(9-14(22)10-13)17-16-18(23-11-24-19(16)30-25-17)26-3-5-27(6-4-26)20(28)15-2-1-7-29-15/h1-2,7-11H,3-6H2
InChIKeyLTTZNDGMNSZSST-UHFFFAOYSA-N
XLogP3.12
TPSA88.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.37
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

furan-2-yl-[4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 1149179
[4-[6-benzyl-3-(3-phenoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 46076369
[4-(3-fluorophenyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-(furan-2-yl)methanone
CID 97462108
[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 24792297
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924
furan-2-yl-[4-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 171358351
2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812129
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 35757404
[4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 53333640
1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 20922540
furan-2-yl-[4-[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]piperazin-1-yl]methanone
CID 53085403

Frequently Asked Questions

What is the IUPAC name of [4-[3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone (CID 46359497) is [4-[3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(c2ncnc3onc(-c4cc(F)cc(F)c4)c23)CC1.
What is the InChIKey of [4-[3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is LTTZNDGMNSZSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O3/c21-13-8-12(9-14(22)10-13)17-16-18(23-11-24-19(16)30-25-17)26-3-5-27(6-4-26)20(28)15-2-1-7-29-15/h1-2,7-11H,3-6H2.
What are the key properties of [4-[3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 411.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 46359497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).