2-cyclopropyl-5-[[5-(3-fluoro-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole

C16H18FN5O — CID 172900784

IUPAC2-cyclopropyl-5-[[5-(3-fluoro-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole
SMILESFc1cccnc1N1CC2CC1CN2Cc1nnc(C2CC2)o1
InChIInChI=1S/C16H18FN5O/c17-13-2-1-5-18-15(13)22-8-11-6-12(22)7-21(11)9-14-19-20-16(23-14)10-3-4-10/h1-2,5,10-12H,3-4,6-9H2
InChIKeyIWJDHJQEICCGKH-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.94
Rot. Bonds4

About 2-cyclopropyl-5-[[5-(3-fluoro-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole

2-cyclopropyl-5-[[5-(3-fluoro-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole (PubChem CID 172900784) has the molecular formula C16H18FN5O and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-cyclopropyl-5-[[5-(3-fluoro-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[[5-(3-fluoro-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole
PubChem CID172900784
Molecular FormulaC16H18FN5O
Molecular Weight315.35 g/mol
Exact Mass315.15
IUPAC Name2-cyclopropyl-5-[[5-(3-fluoro-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole
SMILESFc1cccnc1N1CC2CC1CN2Cc1nnc(C2CC2)o1
InChIInChI=1S/C16H18FN5O/c17-13-2-1-5-18-15(13)22-8-11-6-12(22)7-21(11)9-14-19-20-16(23-14)10-3-4-10/h1-2,5,10-12H,3-4,6-9H2
InChIKeyIWJDHJQEICCGKH-UHFFFAOYSA-N
XLogP1.94
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[[5-(3-fluoro-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[[5-(3-fluoro-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole (CID 172900784) is 2-cyclopropyl-5-[[5-(3-fluoro-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[[5-(3-fluoro-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[[5-(3-fluoro-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole is Fc1cccnc1N1CC2CC1CN2Cc1nnc(C2CC2)o1.
What is the InChIKey of 2-cyclopropyl-5-[[5-(3-fluoro-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is IWJDHJQEICCGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O/c17-13-2-1-5-18-15(13)22-8-11-6-12(22)7-21(11)9-14-19-20-16(23-14)10-3-4-10/h1-2,5,10-12H,3-4,6-9H2.
What are the key properties of 2-cyclopropyl-5-[[5-(3-fluoro-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[[5-(3-fluoro-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 315.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[[5-(3-fluoro-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 172900784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).