1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(2-methylphenyl)piperidine-3-carboxamide

C24H22FN5O2 — CID 20924828

IUPAC1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(2-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccccc1NC(=O)C1CCCN(c2ncnc3onc(-c4ccc(F)cc4)c23)C1
InChIInChI=1S/C24H22FN5O2/c1-15-5-2-3-7-19(15)28-23(31)17-6-4-12-30(13-17)22-20-21(16-8-10-18(25)11-9-16)29-32-24(20)27-14-26-22/h2-3,5,7-11,14,17H,4,6,12-13H2,1H3,(H,28,31)
InChIKeyXBXYGQXBSJITFW-UHFFFAOYSA-N
MW431.47 g/mol
LogP4.59
Rot. Bonds4

About 1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(2-methylphenyl)piperidine-3-carboxamide

1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(2-methylphenyl)piperidine-3-carboxamide (PubChem CID 20924828) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(2-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(2-methylphenyl)piperidine-3-carboxamide
PubChem CID20924828
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(2-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccccc1NC(=O)C1CCCN(c2ncnc3onc(-c4ccc(F)cc4)c23)C1
InChIInChI=1S/C24H22FN5O2/c1-15-5-2-3-7-19(15)28-23(31)17-6-4-12-30(13-17)22-20-21(16-8-10-18(25)11-9-16)29-32-24(20)27-14-26-22/h2-3,5,7-11,14,17H,4,6,12-13H2,1H3,(H,28,31)
InChIKeyXBXYGQXBSJITFW-UHFFFAOYSA-N
XLogP4.59
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(2-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(2-methylphenyl)piperidine-3-carboxamide (CID 20924828) is 1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(2-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(2-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(2-methylphenyl)piperidine-3-carboxamide is Cc1ccccc1NC(=O)C1CCCN(c2ncnc3onc(-c4ccc(F)cc4)c23)C1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(2-methylphenyl)piperidine-3-carboxamide?
The InChIKey is XBXYGQXBSJITFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-15-5-2-3-7-19(15)28-23(31)17-6-4-12-30(13-17)22-20-21(16-8-10-18(25)11-9-16)29-32-24(20)27-14-26-22/h2-3,5,7-11,14,17H,4,6,12-13H2,1H3,(H,28,31).
What are the key properties of 1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(2-methylphenyl)piperidine-3-carboxamide?
1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(2-methylphenyl)piperidine-3-carboxamide has a molecular weight of 431.47 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(2-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 20924828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).