N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1-methylpyrazol-3-yl)acetamide

C16H23FN6O2 — CID 128974039

IUPACN-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1-methylpyrazol-3-yl)acetamide
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)Cc2ccn(C)n2)no1
InChIInChI=1S/C16H23FN6O2/c1-11-18-15(20-25-11)10-23-8-12(17)6-14(23)9-21(2)16(24)7-13-4-5-22(3)19-13/h4-5,12,14H,6-10H2,1-3H3/t12-,14-/m0/s1
InChIKeyDOHJPJLWBCLSSP-JSGCOSHPSA-N
MW350.40 g/mol
LogP0.73
Rot. Bonds6

About N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1-methylpyrazol-3-yl)acetamide

N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1-methylpyrazol-3-yl)acetamide (PubChem CID 128974039) has the molecular formula C16H23FN6O2 and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1-methylpyrazol-3-yl)acetamide
PubChem CID128974039
Molecular FormulaC16H23FN6O2
Molecular Weight350.40 g/mol
Exact Mass350.19
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1-methylpyrazol-3-yl)acetamide
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)Cc2ccn(C)n2)no1
InChIInChI=1S/C16H23FN6O2/c1-11-18-15(20-25-11)10-23-8-12(17)6-14(23)9-21(2)16(24)7-13-4-5-22(3)19-13/h4-5,12,14H,6-10H2,1-3H3/t12-,14-/m0/s1
InChIKeyDOHJPJLWBCLSSP-JSGCOSHPSA-N
XLogP0.73
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1-methylpyrazol-3-yl)acetamide (CID 128974039) is N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1-methylpyrazol-3-yl)acetamide is Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)Cc2ccn(C)n2)no1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is DOHJPJLWBCLSSP-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H23FN6O2/c1-11-18-15(20-25-11)10-23-8-12(17)6-14(23)9-21(2)16(24)7-13-4-5-22(3)19-13/h4-5,12,14H,6-10H2,1-3H3/t12-,14-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1-methylpyrazol-3-yl)acetamide?
N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 350.40 g/mol, XLogP of 0.73, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 128974039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).