N-[(3R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide

C18H21F2N3O2 — CID 97008260

IUPACN-[(3R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN(Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C18H21F2N3O2/c1-12-8-21-18(25-12)11-23(13(2)24)15-5-6-22(10-15)9-14-3-4-16(19)17(20)7-14/h3-4,7-8,15H,5-6,9-11H2,1-2H3/t15-/m1/s1
InChIKeySPSHFUBXVVYDAU-OAHLLOKOSA-N
MW349.38 g/mol
LogP2.88
Rot. Bonds5

About N-[(3R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide

N-[(3R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide (PubChem CID 97008260) has the molecular formula C18H21F2N3O2 and a molecular weight of 349.38 g/mol. Its IUPAC name is N-[(3R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
PubChem CID97008260
Molecular FormulaC18H21F2N3O2
Molecular Weight349.38 g/mol
Exact Mass349.16
IUPAC NameN-[(3R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN(Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C18H21F2N3O2/c1-12-8-21-18(25-12)11-23(13(2)24)15-5-6-22(10-15)9-14-3-4-16(19)17(20)7-14/h3-4,7-8,15H,5-6,9-11H2,1-2H3/t15-/m1/s1
InChIKeySPSHFUBXVVYDAU-OAHLLOKOSA-N
XLogP2.88
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]acetamide
CID 71871794
N-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 97008269
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
3-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide
CID 97008210
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-[(2S)-2,4-dicyanobutyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 100871535
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-[(3S)-2-oxooxolan-3-yl]pyrrolidin-3-yl]acetamide
CID 129490350
1-[(3,4-difluorophenyl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918627
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine
CID 171996805
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]acetamide
CID 97217475

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
The IUPAC name of N-[(3R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide (CID 97008260) is N-[(3R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(3R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[(3R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide is CC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN(Cc2ccc(F)c(F)c2)C1.
What is the InChIKey of N-[(3R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
The InChIKey is SPSHFUBXVVYDAU-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21F2N3O2/c1-12-8-21-18(25-12)11-23(13(2)24)15-5-6-22(10-15)9-14-3-4-16(19)17(20)7-14/h3-4,7-8,15H,5-6,9-11H2,1-2H3/t15-/m1/s1.
What are the key properties of N-[(3R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
N-[(3R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide has a molecular weight of 349.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide is sourced from PubChem (CID 97008260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).