1-[2-fluoro-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide

C22H26FN5O2S — CID 91952127

IUPAC1-[2-fluoro-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
SMILESCc1nc(CNC(=O)C2CCCCN2c2ccc(-c3noc(C(C)C)n3)cc2F)cs1
InChIInChI=1S/C22H26FN5O2S/c1-13(2)22-26-20(27-30-22)15-7-8-18(17(23)10-15)28-9-5-4-6-19(28)21(29)24-11-16-12-31-14(3)25-16/h7-8,10,12-13,19H,4-6,9,11H2,1-3H3,(H,24,29)
InChIKeyUOSJHVGXBVGISE-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.44
Rot. Bonds6

About 1-[2-fluoro-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide

1-[2-fluoro-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide (PubChem CID 91952127) has the molecular formula C22H26FN5O2S and a molecular weight of 443.55 g/mol. Its IUPAC name is 1-[2-fluoro-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-fluoro-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
PubChem CID91952127
Molecular FormulaC22H26FN5O2S
Molecular Weight443.55 g/mol
Exact Mass443.18
IUPAC Name1-[2-fluoro-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
SMILESCc1nc(CNC(=O)C2CCCCN2c2ccc(-c3noc(C(C)C)n3)cc2F)cs1
InChIInChI=1S/C22H26FN5O2S/c1-13(2)22-26-20(27-30-22)15-7-8-18(17(23)10-15)28-9-5-4-6-19(28)21(29)24-11-16-12-31-14(3)25-16/h7-8,10,12-13,19H,4-6,9,11H2,1-3H3,(H,24,29)
InChIKeyUOSJHVGXBVGISE-UHFFFAOYSA-N
XLogP4.44
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of 1-[2-fluoro-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide (CID 91952127) is 1-[2-fluoro-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[2-fluoro-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[2-fluoro-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide is Cc1nc(CNC(=O)C2CCCCN2c2ccc(-c3noc(C(C)C)n3)cc2F)cs1.
What is the InChIKey of 1-[2-fluoro-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide?
The InChIKey is UOSJHVGXBVGISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O2S/c1-13(2)22-26-20(27-30-22)15-7-8-18(17(23)10-15)28-9-5-4-6-19(28)21(29)24-11-16-12-31-14(3)25-16/h7-8,10,12-13,19H,4-6,9,11H2,1-3H3,(H,24,29).
What are the key properties of 1-[2-fluoro-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide?
1-[2-fluoro-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 91952127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).