N-methyl-3-[[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide

C19H26N4O2 — CID 71928396

IUPACN-methyl-3-[[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide
SMILESCNC(=O)c1cccc(CN2CCC(N(C)Cc3ncc(C)o3)C2)c1
InChIInChI=1S/C19H26N4O2/c1-14-10-21-18(25-14)13-22(3)17-7-8-23(12-17)11-15-5-4-6-16(9-15)19(24)20-2/h4-6,9-10,17H,7-8,11-13H2,1-3H3,(H,20,24)
InChIKeySJDRIUGBSMPWQL-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.05
Rot. Bonds6

About N-methyl-3-[[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide

N-methyl-3-[[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide (PubChem CID 71928396) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-methyl-3-[[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide
PubChem CID71928396
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-methyl-3-[[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide
SMILESCNC(=O)c1cccc(CN2CCC(N(C)Cc3ncc(C)o3)C2)c1
InChIInChI=1S/C19H26N4O2/c1-14-10-21-18(25-14)13-22(3)17-7-8-23(12-17)11-15-5-4-6-16(9-15)19(24)20-2/h4-6,9-10,17H,7-8,11-13H2,1-3H3,(H,20,24)
InChIKeySJDRIUGBSMPWQL-UHFFFAOYSA-N
XLogP2.05
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide?
The IUPAC name of N-methyl-3-[[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide (CID 71928396) is N-methyl-3-[[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-methyl-3-[[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide?
The canonical SMILES for N-methyl-3-[[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide is CNC(=O)c1cccc(CN2CCC(N(C)Cc3ncc(C)o3)C2)c1.
What is the InChIKey of N-methyl-3-[[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide?
The InChIKey is SJDRIUGBSMPWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-10-21-18(25-14)13-22(3)17-7-8-23(12-17)11-15-5-4-6-16(9-15)19(24)20-2/h4-6,9-10,17H,7-8,11-13H2,1-3H3,(H,20,24).
What are the key properties of N-methyl-3-[[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide?
N-methyl-3-[[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide has a molecular weight of 342.44 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide is sourced from PubChem (CID 71928396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).