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

C24H22FN5O3 — CID 20924832

IUPAC1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(c3ncnc4onc(-c5ccc(F)cc5)c34)C2)cc1
InChIInChI=1S/C24H22FN5O3/c1-32-19-10-8-18(9-11-19)28-23(31)16-3-2-12-30(13-16)22-20-21(15-4-6-17(25)7-5-15)29-33-24(20)27-14-26-22/h4-11,14,16H,2-3,12-13H2,1H3,(H,28,31)
InChIKeyVYIFJGJPTWSJKN-UHFFFAOYSA-N
MW447.47 g/mol
LogP4.29
Rot. Bonds5

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

1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(4-methoxyphenyl)piperidine-3-carboxamide (PubChem CID 20924832) has the molecular formula C24H22FN5O3 and a molecular weight of 447.47 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(4-methoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
PubChem CID20924832
Molecular FormulaC24H22FN5O3
Molecular Weight447.47 g/mol
Exact Mass447.17
IUPAC Name1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(c3ncnc4onc(-c5ccc(F)cc5)c34)C2)cc1
InChIInChI=1S/C24H22FN5O3/c1-32-19-10-8-18(9-11-19)28-23(31)16-3-2-12-30(13-16)22-20-21(15-4-6-17(25)7-5-15)29-33-24(20)27-14-26-22/h4-11,14,16H,2-3,12-13H2,1H3,(H,28,31)
InChIKeyVYIFJGJPTWSJKN-UHFFFAOYSA-N
XLogP4.29
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(4-methoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(4-methoxyphenyl)piperidine-3-carboxamide (CID 20924832) is 1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(4-methoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(4-methoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(4-methoxyphenyl)piperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(c3ncnc4onc(-c5ccc(F)cc5)c34)C2)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(4-methoxyphenyl)piperidine-3-carboxamide?
The InChIKey is VYIFJGJPTWSJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3/c1-32-19-10-8-18(9-11-19)28-23(31)16-3-2-12-30(13-16)22-20-21(15-4-6-17(25)7-5-15)29-33-24(20)27-14-26-22/h4-11,14,16H,2-3,12-13H2,1H3,(H,28,31).
What are the key properties of 1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(4-methoxyphenyl)piperidine-3-carboxamide?
1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(4-methoxyphenyl)piperidine-3-carboxamide has a molecular weight of 447.47 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-(4-methoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 20924832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).