N-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide

C18H22FN3O2 — CID 97008269

IUPACN-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ncc(C)o1)[C@H]1CCN(Cc2ccccc2F)C1
InChIInChI=1S/C18H22FN3O2/c1-13-9-20-18(24-13)12-22(14(2)23)16-7-8-21(11-16)10-15-5-3-4-6-17(15)19/h3-6,9,16H,7-8,10-12H2,1-2H3/t16-/m0/s1
InChIKeyYHNRIYQWQSKWOJ-INIZCTEOSA-N
MW331.39 g/mol
LogP2.75
Rot. Bonds5

About N-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide

N-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide (PubChem CID 97008269) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
PubChem CID97008269
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC NameN-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ncc(C)o1)[C@H]1CCN(Cc2ccccc2F)C1
InChIInChI=1S/C18H22FN3O2/c1-13-9-20-18(24-13)12-22(14(2)23)16-7-8-21(11-16)10-15-5-3-4-6-17(15)19/h3-6,9,16H,7-8,10-12H2,1-2H3/t16-/m0/s1
InChIKeyYHNRIYQWQSKWOJ-INIZCTEOSA-N
XLogP2.75
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 97008260
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]acetamide
CID 71871794
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide
CID 75373805
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide
CID 97073446
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide
CID 71928350
2-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzonitrile
CID 97008212
N-[(3R)-1-[(2S)-2,4-dicyanobutyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 100871535
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-3-yl]acetamide
CID 96512271
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazine-2-carboxamide
CID 42459871
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazine-2-carboxamide
CID 42459876
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]acetamide
CID 97217475
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]acetamide
CID 71872509

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
The IUPAC name of N-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide (CID 97008269) is N-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide is CC(=O)N(Cc1ncc(C)o1)[C@H]1CCN(Cc2ccccc2F)C1.
What is the InChIKey of N-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
The InChIKey is YHNRIYQWQSKWOJ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-13-9-20-18(24-13)12-22(14(2)23)16-7-8-21(11-16)10-15-5-3-4-6-17(15)19/h3-6,9,16H,7-8,10-12H2,1-2H3/t16-/m0/s1.
What are the key properties of N-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
N-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide has a molecular weight of 331.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide is sourced from PubChem (CID 97008269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).