(3,4-difluorophenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone

C19H20F2N6O2 — CID 91891943

IUPAC(3,4-difluorophenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCCCc1noc(-c2cn(C3CCN(C(=O)c4ccc(F)c(F)c4)CC3)nn2)n1
InChIInChI=1S/C19H20F2N6O2/c1-2-3-17-22-18(29-24-17)16-11-27(25-23-16)13-6-8-26(9-7-13)19(28)12-4-5-14(20)15(21)10-12/h4-5,10-11,13H,2-3,6-9H2,1H3
InChIKeyZFCFTRLGPRUUJV-UHFFFAOYSA-N
MW402.41 g/mol
LogP3.04
Rot. Bonds5

About (3,4-difluorophenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone

(3,4-difluorophenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone (PubChem CID 91891943) has the molecular formula C19H20F2N6O2 and a molecular weight of 402.41 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
PubChem CID91891943
Molecular FormulaC19H20F2N6O2
Molecular Weight402.41 g/mol
Exact Mass402.16
IUPAC Name(3,4-difluorophenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCCCc1noc(-c2cn(C3CCN(C(=O)c4ccc(F)c(F)c4)CC3)nn2)n1
InChIInChI=1S/C19H20F2N6O2/c1-2-3-17-22-18(29-24-17)16-11-27(25-23-16)13-6-8-26(9-7-13)19(28)12-4-5-14(20)15(21)10-12/h4-5,10-11,13H,2-3,6-9H2,1H3
InChIKeyZFCFTRLGPRUUJV-UHFFFAOYSA-N
XLogP3.04
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone (CID 91891943) is (3,4-difluorophenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone is CCCc1noc(-c2cn(C3CCN(C(=O)c4ccc(F)c(F)c4)CC3)nn2)n1.
What is the InChIKey of (3,4-difluorophenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is ZFCFTRLGPRUUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O2/c1-2-3-17-22-18(29-24-17)16-11-27(25-23-16)13-6-8-26(9-7-13)19(28)12-4-5-14(20)15(21)10-12/h4-5,10-11,13H,2-3,6-9H2,1H3.
What are the key properties of (3,4-difluorophenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
(3,4-difluorophenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 402.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 91891943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).