N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide

C16H23FN6O2 — CID 128994900

IUPACN-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
SMILESCc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)C(C)n2cncn2)on1
InChIInChI=1S/C16H23FN6O2/c1-11-4-15(25-20-11)8-22-6-13(17)5-14(22)7-21(3)16(24)12(2)23-10-18-9-19-23/h4,9-10,12-14H,5-8H2,1-3H3/t12?,13-,14-/m0/s1
InChIKeyDOBBEAYBOJFMOS-TTZKSVMKSA-N
MW350.40 g/mol
LogP1.21
Rot. Bonds6

About N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide

N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 128994900) has the molecular formula C16H23FN6O2 and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID128994900
Molecular FormulaC16H23FN6O2
Molecular Weight350.40 g/mol
Exact Mass350.19
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
SMILESCc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)C(C)n2cncn2)on1
InChIInChI=1S/C16H23FN6O2/c1-11-4-15(25-20-11)8-22-6-13(17)5-14(22)7-21(3)16(24)12(2)23-10-18-9-19-23/h4,9-10,12-14H,5-8H2,1-3H3/t12?,13-,14-/m0/s1
InChIKeyDOBBEAYBOJFMOS-TTZKSVMKSA-N
XLogP1.21
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 ≤ 51.21
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-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide (CID 128994900) is N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide is Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)C(C)n2cncn2)on1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is DOBBEAYBOJFMOS-TTZKSVMKSA-N. The full InChI is InChI=1S/C16H23FN6O2/c1-11-4-15(25-20-11)8-22-6-13(17)5-14(22)7-21(3)16(24)12(2)23-10-18-9-19-23/h4,9-10,12-14H,5-8H2,1-3H3/t12?,13-,14-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide?
N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 350.40 g/mol, XLogP of 1.21, 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-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 128994900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).