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

C21H22F2N8O — CID 10003356

IUPACN-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(tetrazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
SMILESFC(F)(CNc1nccc2oc(Cc3ccccc3-n3cnnn3)nc12)C1CCCCN1
InChIInChI=1S/C21H22F2N8O/c22-21(23,17-7-3-4-9-24-17)12-26-20-19-16(8-10-25-20)32-18(28-19)11-14-5-1-2-6-15(14)31-13-27-29-30-31/h1-2,5-6,8,10,13,17,24H,3-4,7,9,11-12H2,(H,25,26)
InChIKeyAWDJYEYUDBHRRD-UHFFFAOYSA-N
MW440.46 g/mol
LogP2.98
Rot. Bonds7

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

N-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(tetrazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine (PubChem CID 10003356) has the molecular formula C21H22F2N8O and a molecular weight of 440.46 g/mol. Its IUPAC name is N-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(tetrazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(tetrazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
PubChem CID10003356
Molecular FormulaC21H22F2N8O
Molecular Weight440.46 g/mol
Exact Mass440.19
IUPAC NameN-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(tetrazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
SMILESFC(F)(CNc1nccc2oc(Cc3ccccc3-n3cnnn3)nc12)C1CCCCN1
InChIInChI=1S/C21H22F2N8O/c22-21(23,17-7-3-4-9-24-17)12-26-20-19-16(8-10-25-20)32-18(28-19)11-14-5-1-2-6-15(14)31-13-27-29-30-31/h1-2,5-6,8,10,13,17,24H,3-4,7,9,11-12H2,(H,25,26)
InChIKeyAWDJYEYUDBHRRD-UHFFFAOYSA-N
XLogP2.98
TPSA106.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(tetrazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine?
The IUPAC name of N-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(tetrazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine (CID 10003356) is N-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(tetrazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine.
What is the SMILES notation for N-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(tetrazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine?
The canonical SMILES for N-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(tetrazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine is FC(F)(CNc1nccc2oc(Cc3ccccc3-n3cnnn3)nc12)C1CCCCN1.
What is the InChIKey of N-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(tetrazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine?
The InChIKey is AWDJYEYUDBHRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N8O/c22-21(23,17-7-3-4-9-24-17)12-26-20-19-16(8-10-25-20)32-18(28-19)11-14-5-1-2-6-15(14)31-13-27-29-30-31/h1-2,5-6,8,10,13,17,24H,3-4,7,9,11-12H2,(H,25,26).
What are the key properties of N-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(tetrazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine?
N-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(tetrazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine has a molecular weight of 440.46 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(tetrazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 10003356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).