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

C18H21F2N3O2 — CID 71928366

IUPACN-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ncc(C)o1)C1CCN(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
InChIKeySPSHFUBXVVYDAU-UHFFFAOYSA-N
MW349.38 g/mol
LogP2.88
Rot. Bonds5

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

N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide (PubChem CID 71928366) has the molecular formula C18H21F2N3O2 and a molecular weight of 349.38 g/mol. Its IUPAC name is N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
PubChem CID71928366
Molecular FormulaC18H21F2N3O2
Molecular Weight349.38 g/mol
Exact Mass349.16
IUPAC NameN-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ncc(C)o1)C1CCN(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
InChIKeySPSHFUBXVVYDAU-UHFFFAOYSA-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-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]ethanamine
CID 52586784
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]acetamide
CID 71872519
N-[1-[(2-cyanophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 71872523
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]acetamide
CID 71872527
N-[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 71872534
3-Fluoro-4-[[(5-methyl-1,3-oxazol-2-yl)methyl-(1-methylpyrrolidin-3-yl)amino]methyl]benzonitrile
CID 71927235
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-phenylethyl)pyrrolidin-3-yl]acetamide
CID 71928343
N-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 71928368
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide
CID 71928369
N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine
CID 71928377
N-methyl-3-[[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide
CID 71928396
N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 71928404

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
The IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide (CID 71928366) is N-[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-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[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)C1CCN(Cc2ccc(F)c(F)c2)C1.
What is the InChIKey of N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
The InChIKey is SPSHFUBXVVYDAU-UHFFFAOYSA-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.
What are the key properties of N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
N-[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-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide is sourced from PubChem (CID 71928366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).