[(5S)-5-(3,5-difluorophenyl)pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone

C18H21F2N5O2 — CID 138105971

IUPAC[(5S)-5-(3,5-difluorophenyl)pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
SMILESCc1nnc(N2CCC(C(=O)N3NCC[C@H]3c3cc(F)cc(F)c3)CC2)o1
InChIInChI=1S/C18H21F2N5O2/c1-11-22-23-18(27-11)24-6-3-12(4-7-24)17(26)25-16(2-5-21-25)13-8-14(19)10-15(20)9-13/h8-10,12,16,21H,2-7H2,1H3/t16-/m0/s1
InChIKeyKYFXWICBRBBWQQ-INIZCTEOSA-N
MW377.40 g/mol
LogP2.35
Rot. Bonds3

About [(5S)-5-(3,5-difluorophenyl)pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone

[(5S)-5-(3,5-difluorophenyl)pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone (PubChem CID 138105971) has the molecular formula C18H21F2N5O2 and a molecular weight of 377.40 g/mol. Its IUPAC name is [(5S)-5-(3,5-difluorophenyl)pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[(5S)-5-(3,5-difluorophenyl)pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
PubChem CID138105971
Molecular FormulaC18H21F2N5O2
Molecular Weight377.40 g/mol
Exact Mass377.17
IUPAC Name[(5S)-5-(3,5-difluorophenyl)pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
SMILESCc1nnc(N2CCC(C(=O)N3NCC[C@H]3c3cc(F)cc(F)c3)CC2)o1
InChIInChI=1S/C18H21F2N5O2/c1-11-22-23-18(27-11)24-6-3-12(4-7-24)17(26)25-16(2-5-21-25)13-8-14(19)10-15(20)9-13/h8-10,12,16,21H,2-7H2,1H3/t16-/m0/s1
InChIKeyKYFXWICBRBBWQQ-INIZCTEOSA-N
XLogP2.35
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(5S)-5-(3,5-difluorophenyl)pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone?
The IUPAC name of [(5S)-5-(3,5-difluorophenyl)pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone (CID 138105971) is [(5S)-5-(3,5-difluorophenyl)pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone.
What is the SMILES notation for [(5S)-5-(3,5-difluorophenyl)pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone?
The canonical SMILES for [(5S)-5-(3,5-difluorophenyl)pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone is Cc1nnc(N2CCC(C(=O)N3NCC[C@H]3c3cc(F)cc(F)c3)CC2)o1.
What is the InChIKey of [(5S)-5-(3,5-difluorophenyl)pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone?
The InChIKey is KYFXWICBRBBWQQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21F2N5O2/c1-11-22-23-18(27-11)24-6-3-12(4-7-24)17(26)25-16(2-5-21-25)13-8-14(19)10-15(20)9-13/h8-10,12,16,21H,2-7H2,1H3/t16-/m0/s1.
What are the key properties of [(5S)-5-(3,5-difluorophenyl)pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone?
[(5S)-5-(3,5-difluorophenyl)pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone has a molecular weight of 377.40 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-(3,5-difluorophenyl)pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 138105971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).