N-(3-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C16H14N4O3 — CID 113192666

IUPACN-(3-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(N2CC(C(=O)Nc3cccc(C#N)c3)CC2=O)no1
InChIInChI=1S/C16H14N4O3/c1-10-5-14(19-23-10)20-9-12(7-15(20)21)16(22)18-13-4-2-3-11(6-13)8-17/h2-6,12H,7,9H2,1H3,(H,18,22)
InChIKeyMJWHQQICUUSXAZ-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.85
Rot. Bonds3

About N-(3-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide

N-(3-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113192666) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-(3-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113192666
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC NameN-(3-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(N2CC(C(=O)Nc3cccc(C#N)c3)CC2=O)no1
InChIInChI=1S/C16H14N4O3/c1-10-5-14(19-23-10)20-9-12(7-15(20)21)16(22)18-13-4-2-3-11(6-13)8-17/h2-6,12H,7,9H2,1H3,(H,18,22)
InChIKeyMJWHQQICUUSXAZ-UHFFFAOYSA-N
XLogP1.85
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192655
(3R)-N-(3-cyanophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9245456
1-(5-methyl-1,2-oxazol-3-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113192567
N-(3-chloro-4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192601
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192652
N-(2-fluorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192590
1-(2-chloro-4,6-dimethylphenyl)-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187973
N-(3-cyanophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946600
ethyl 4-[4-[(3-cyanophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113190636
1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113192503
(3R)-N-(3-cyanophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9245448
N-[(4-fluorophenyl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192507

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 113192666) is N-(3-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide is Cc1cc(N2CC(C(=O)Nc3cccc(C#N)c3)CC2=O)no1.
What is the InChIKey of N-(3-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MJWHQQICUUSXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-10-5-14(19-23-10)20-9-12(7-15(20)21)16(22)18-13-4-2-3-11(6-13)8-17/h2-6,12H,7,9H2,1H3,(H,18,22).
What are the key properties of N-(3-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
N-(3-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113192666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).