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

C19H21FN4O2 — CID 154801217

IUPACN-[1-(2-cyano-4-fluorophenyl)pyrrolidin-3-yl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCCc1cnc(CN(C(C)=O)C2CCN(c3ccc(F)cc3C#N)C2)o1
InChIInChI=1S/C19H21FN4O2/c1-3-17-10-22-19(26-17)12-24(13(2)25)16-6-7-23(11-16)18-5-4-15(20)8-14(18)9-21/h4-5,8,10,16H,3,6-7,11-12H2,1-2H3
InChIKeyQOMHUXKEZHIGHA-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.88
Rot. Bonds5

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

N-[1-(2-cyano-4-fluorophenyl)pyrrolidin-3-yl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide (PubChem CID 154801217) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[1-(2-cyano-4-fluorophenyl)pyrrolidin-3-yl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[1-(2-cyano-4-fluorophenyl)pyrrolidin-3-yl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
PubChem CID154801217
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC NameN-[1-(2-cyano-4-fluorophenyl)pyrrolidin-3-yl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCCc1cnc(CN(C(C)=O)C2CCN(c3ccc(F)cc3C#N)C2)o1
InChIInChI=1S/C19H21FN4O2/c1-3-17-10-22-19(26-17)12-24(13(2)25)16-6-7-23(11-16)18-5-4-15(20)8-14(18)9-21/h4-5,8,10,16H,3,6-7,11-12H2,1-2H3
InChIKeyQOMHUXKEZHIGHA-UHFFFAOYSA-N
XLogP2.88
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]-5-fluorobenzonitrile
CID 71928385
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-3-yl]acetamide
CID 96512271
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]acetamide
CID 71872509
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]acetamide
CID 96512266
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-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide
CID 71872501
2-(4-acetylpiperazin-1-yl)-5-fluorobenzonitrile
CID 63669542
5-fluoro-2-(3-methoxypyrrolidin-1-yl)benzonitrile
CID 103533377
methyl 1-(2-cyano-4-fluorophenyl)piperidine-4-carboxylate
CID 63673144
N-[(3R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 97008260
5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile
CID 63978241
2-[3-(diethylamino)pyrrolidin-1-yl]-5-methylbenzonitrile
CID 107927459

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyano-4-fluorophenyl)pyrrolidin-3-yl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide?
The IUPAC name of N-[1-(2-cyano-4-fluorophenyl)pyrrolidin-3-yl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide (CID 154801217) is N-[1-(2-cyano-4-fluorophenyl)pyrrolidin-3-yl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[1-(2-cyano-4-fluorophenyl)pyrrolidin-3-yl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[1-(2-cyano-4-fluorophenyl)pyrrolidin-3-yl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide is CCc1cnc(CN(C(C)=O)C2CCN(c3ccc(F)cc3C#N)C2)o1.
What is the InChIKey of N-[1-(2-cyano-4-fluorophenyl)pyrrolidin-3-yl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide?
The InChIKey is QOMHUXKEZHIGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-3-17-10-22-19(26-17)12-24(13(2)25)16-6-7-23(11-16)18-5-4-15(20)8-14(18)9-21/h4-5,8,10,16H,3,6-7,11-12H2,1-2H3.
What are the key properties of N-[1-(2-cyano-4-fluorophenyl)pyrrolidin-3-yl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide?
N-[1-(2-cyano-4-fluorophenyl)pyrrolidin-3-yl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide has a molecular weight of 356.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyano-4-fluorophenyl)pyrrolidin-3-yl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide is sourced from PubChem (CID 154801217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).