2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine

C20H21ClF2N4O — CID 10409093

IUPAC2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine
SMILESFC(F)(CNc1nccc2oc(Cc3cccc(Cl)c3)nc12)C1CCCCN1
InChIInChI=1S/C20H21ClF2N4O/c21-14-5-3-4-13(10-14)11-17-27-18-15(28-17)7-9-25-19(18)26-12-20(22,23)16-6-1-2-8-24-16/h3-5,7,9-10,16,24H,1-2,6,8,11-12H2,(H,25,26)
InChIKeyFQFUSWODGXTQQH-UHFFFAOYSA-N
MW406.86 g/mol
LogP4.66
Rot. Bonds6

About 2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine

2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine (PubChem CID 10409093) has the molecular formula C20H21ClF2N4O and a molecular weight of 406.86 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine
PubChem CID10409093
Molecular FormulaC20H21ClF2N4O
Molecular Weight406.86 g/mol
Exact Mass406.14
IUPAC Name2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine
SMILESFC(F)(CNc1nccc2oc(Cc3cccc(Cl)c3)nc12)C1CCCCN1
InChIInChI=1S/C20H21ClF2N4O/c21-14-5-3-4-13(10-14)11-17-27-18-15(28-17)7-9-25-19(18)26-12-20(22,23)16-6-1-2-8-24-16/h3-5,7,9-10,16,24H,1-2,6,8,11-12H2,(H,25,26)
InChIKeyFQFUSWODGXTQQH-UHFFFAOYSA-N
XLogP4.66
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.86
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine (CID 10409093) is 2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine is FC(F)(CNc1nccc2oc(Cc3cccc(Cl)c3)nc12)C1CCCCN1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine?
The InChIKey is FQFUSWODGXTQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF2N4O/c21-14-5-3-4-13(10-14)11-17-27-18-15(28-17)7-9-25-19(18)26-12-20(22,23)16-6-1-2-8-24-16/h3-5,7,9-10,16,24H,1-2,6,8,11-12H2,(H,25,26).
What are the key properties of 2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine?
2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine has a molecular weight of 406.86 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 10409093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).