3-[[(3S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzamide

C19H26N4O2 — CID 96512219

IUPAC3-[[(3S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzamide
SMILESCCc1cnc(CN(C)[C@H]2CCN(Cc3cccc(C(N)=O)c3)C2)o1
InChIInChI=1S/C19H26N4O2/c1-3-17-10-21-18(25-17)13-22(2)16-7-8-23(12-16)11-14-5-4-6-15(9-14)19(20)24/h4-6,9-10,16H,3,7-8,11-13H2,1-2H3,(H2,20,24)/t16-/m0/s1
InChIKeyRLLPZOAVTKCQFQ-INIZCTEOSA-N
MW342.44 g/mol
LogP2.04
Rot. Bonds7

About 3-[[(3S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzamide

3-[[(3S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzamide (PubChem CID 96512219) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-[[(3S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[(3S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzamide
PubChem CID96512219
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-[[(3S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzamide
SMILESCCc1cnc(CN(C)[C@H]2CCN(Cc3cccc(C(N)=O)c3)C2)o1
InChIInChI=1S/C19H26N4O2/c1-3-17-10-21-18(25-17)13-22(2)16-7-8-23(12-16)11-14-5-4-6-15(9-14)19(20)24/h4-6,9-10,16H,3,7-8,11-13H2,1-2H3,(H2,20,24)/t16-/m0/s1
InChIKeyRLLPZOAVTKCQFQ-INIZCTEOSA-N
XLogP2.04
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide
CID 97008210
3-[[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzamide
CID 97217347
2-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]-5-fluorobenzonitrile
CID 71928385
3-[(3-aminopyrrolidin-1-yl)methyl]benzamide;hydrochloride
CID 119917602
3-[[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methyl]benzamide
CID 154744472
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-3-yl]acetamide
CID 96512271
(2S)-2-[[(3R)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]pentanedinitrile
CID 100858845
N-methyl-3-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide
CID 71872721
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-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]acetamide
CID 96512266
3-[(3-formylpiperidin-1-yl)methyl]benzamide
CID 62656741
3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)benzamide;hydrochloride
CID 119927575

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzamide?
The IUPAC name of 3-[[(3S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzamide (CID 96512219) is 3-[[(3S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzamide.
What is the SMILES notation for 3-[[(3S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzamide?
The canonical SMILES for 3-[[(3S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzamide is CCc1cnc(CN(C)[C@H]2CCN(Cc3cccc(C(N)=O)c3)C2)o1.
What is the InChIKey of 3-[[(3S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzamide?
The InChIKey is RLLPZOAVTKCQFQ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-17-10-21-18(25-17)13-22(2)16-7-8-23(12-16)11-14-5-4-6-15(9-14)19(20)24/h4-6,9-10,16H,3,7-8,11-13H2,1-2H3,(H2,20,24)/t16-/m0/s1.
What are the key properties of 3-[[(3S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzamide?
3-[[(3S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzamide has a molecular weight of 342.44 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzamide is sourced from PubChem (CID 96512219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).