1-[4-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-yl]phenyl]-N,N-dimethylmethanamine;formic acid

C19H26N4O3 — CID 154913646

IUPAC1-[4-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-yl]phenyl]-N,N-dimethylmethanamine;formic acid
SMILESCN(C)Cc1ccc(C2CCCN2c2noc(C3CC3)n2)cc1.O=CO
InChIInChI=1S/C18H24N4O.CH2O2/c1-21(2)12-13-5-7-14(8-6-13)16-4-3-11-22(16)18-19-17(23-20-18)15-9-10-15;2-1-3/h5-8,15-16H,3-4,9-12H2,1-2H3;1H,(H,2,3)
InChIKeyPDLQXJHFIWJKBM-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.05
Rot. Bonds5

About 1-[4-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-yl]phenyl]-N,N-dimethylmethanamine;formic acid

1-[4-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-yl]phenyl]-N,N-dimethylmethanamine;formic acid (PubChem CID 154913646) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[4-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-yl]phenyl]-N,N-dimethylmethanamine;formic acid.

Molecular Properties

Compound Name1-[4-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-yl]phenyl]-N,N-dimethylmethanamine;formic acid
PubChem CID154913646
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name1-[4-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-yl]phenyl]-N,N-dimethylmethanamine;formic acid
SMILESCN(C)Cc1ccc(C2CCCN2c2noc(C3CC3)n2)cc1.O=CO
InChIInChI=1S/C18H24N4O.CH2O2/c1-21(2)12-13-5-7-14(8-6-13)16-4-3-11-22(16)18-19-17(23-20-18)15-9-10-15;2-1-3/h5-8,15-16H,3-4,9-12H2,1-2H3;1H,(H,2,3)
InChIKeyPDLQXJHFIWJKBM-UHFFFAOYSA-N
XLogP3.05
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(2S)-2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]piperidin-4-ol
CID 171359727
cyclopropyl-[4-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]piperidin-1-yl]methanone;formic acid
CID 154915737
N,N-dimethyl-1-[4-[(2R)-1-methylsulfonylpiperidin-2-yl]phenyl]methanamine
CID 95729302
[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 96996542
1-[4-[(2R)-1-cyclopropylsulfonylpiperidin-2-yl]phenyl]-N,N-dimethylmethanamine
CID 95728051
1-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-2-(2H-tetrazol-5-yl)ethanone
CID 56758889
N-[(4-fluorophenyl)methyl]-N-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 60570857
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 70761404
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 56873767
2-[4-[(dimethylamino)methyl]phenyl]-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolidine-1-carboxamide
CID 118791353
N-benzyl-N-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 75462039
4-[(2S)-2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 164635502

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-yl]phenyl]-N,N-dimethylmethanamine;formic acid?
The IUPAC name of 1-[4-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-yl]phenyl]-N,N-dimethylmethanamine;formic acid (CID 154913646) is 1-[4-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-yl]phenyl]-N,N-dimethylmethanamine;formic acid.
What is the SMILES notation for 1-[4-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-yl]phenyl]-N,N-dimethylmethanamine;formic acid?
The canonical SMILES for 1-[4-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-yl]phenyl]-N,N-dimethylmethanamine;formic acid is CN(C)Cc1ccc(C2CCCN2c2noc(C3CC3)n2)cc1.O=CO.
What is the InChIKey of 1-[4-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-yl]phenyl]-N,N-dimethylmethanamine;formic acid?
The InChIKey is PDLQXJHFIWJKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.CH2O2/c1-21(2)12-13-5-7-14(8-6-13)16-4-3-11-22(16)18-19-17(23-20-18)15-9-10-15;2-1-3/h5-8,15-16H,3-4,9-12H2,1-2H3;1H,(H,2,3).
What are the key properties of 1-[4-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-yl]phenyl]-N,N-dimethylmethanamine;formic acid?
1-[4-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-yl]phenyl]-N,N-dimethylmethanamine;formic acid has a molecular weight of 358.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-yl]phenyl]-N,N-dimethylmethanamine;formic acid is sourced from PubChem (CID 154913646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).