N-[(3,5-difluoro-2-pyridinyl)methyl]-5-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-oxazole-4-carboxamide

C21H27F2N5O2 — CID 162435038

IUPACN-[(3,5-difluoro-2-pyridinyl)methyl]-5-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(N2CCC(N3CCCCC3)CC2)nc1C(=O)NCc1ncc(F)cc1F
InChIInChI=1S/C21H27F2N5O2/c1-14-19(20(29)25-13-18-17(23)11-15(22)12-24-18)26-21(30-14)28-9-5-16(6-10-28)27-7-3-2-4-8-27/h11-12,16H,2-10,13H2,1H3,(H,25,29)
InChIKeyBUKVQFPKALWUDQ-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.04
Rot. Bonds5

About N-[(3,5-difluoro-2-pyridinyl)methyl]-5-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-oxazole-4-carboxamide

N-[(3,5-difluoro-2-pyridinyl)methyl]-5-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-oxazole-4-carboxamide (PubChem CID 162435038) has the molecular formula C21H27F2N5O2 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[(3,5-difluoro-2-pyridinyl)methyl]-5-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluoro-2-pyridinyl)methyl]-5-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-oxazole-4-carboxamide
PubChem CID162435038
Molecular FormulaC21H27F2N5O2
Molecular Weight419.48 g/mol
Exact Mass419.21
IUPAC NameN-[(3,5-difluoro-2-pyridinyl)methyl]-5-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(N2CCC(N3CCCCC3)CC2)nc1C(=O)NCc1ncc(F)cc1F
InChIInChI=1S/C21H27F2N5O2/c1-14-19(20(29)25-13-18-17(23)11-15(22)12-24-18)26-21(30-14)28-9-5-16(6-10-28)27-7-3-2-4-8-27/h11-12,16H,2-10,13H2,1H3,(H,25,29)
InChIKeyBUKVQFPKALWUDQ-UHFFFAOYSA-N
XLogP3.04
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluoro-2-pyridinyl)methyl]-5-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(3,5-difluoro-2-pyridinyl)methyl]-5-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-oxazole-4-carboxamide (CID 162435038) is N-[(3,5-difluoro-2-pyridinyl)methyl]-5-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(3,5-difluoro-2-pyridinyl)methyl]-5-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(3,5-difluoro-2-pyridinyl)methyl]-5-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-oxazole-4-carboxamide is Cc1oc(N2CCC(N3CCCCC3)CC2)nc1C(=O)NCc1ncc(F)cc1F.
What is the InChIKey of N-[(3,5-difluoro-2-pyridinyl)methyl]-5-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is BUKVQFPKALWUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F2N5O2/c1-14-19(20(29)25-13-18-17(23)11-15(22)12-24-18)26-21(30-14)28-9-5-16(6-10-28)27-7-3-2-4-8-27/h11-12,16H,2-10,13H2,1H3,(H,25,29).
What are the key properties of N-[(3,5-difluoro-2-pyridinyl)methyl]-5-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-oxazole-4-carboxamide?
N-[(3,5-difluoro-2-pyridinyl)methyl]-5-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluoro-2-pyridinyl)methyl]-5-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 162435038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).