N-methyl-4-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide

C18H25N5O2 — CID 72122933

IUPACN-methyl-4-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide
SMILESCC1=NC(=NO1)CN(C)C2CCN(C2)CC3=CC=C(C=C3)C(=O)NC
InChIInChI=1S/C18H25N5O2/c1-13-20-17(21-25-13)12-22(3)16-8-9-23(11-16)10-14-4-6-15(7-5-14)18(24)19-2/h4-7,16H,8-12H2,1-3H3,(H,19,24)
InChIKeyODDHOBCTGTTWPL-UHFFFAOYSA-N
MW343.40 g/mol
LogP1.40
Rot. Bonds6

About N-methyl-4-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide

N-methyl-4-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide (PubChem CID 72122933) has the molecular formula C18H25N5O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-methyl-4-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide
PubChem CID72122933
Molecular FormulaC18H25N5O2
Molecular Weight343.40 g/mol
Exact Mass343.20
IUPAC NameN-methyl-4-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide
SMILESCC1=NC(=NO1)CN(C)C2CCN(C2)CC3=CC=C(C=C3)C(=O)NC
InChIInChI=1S/C18H25N5O2/c1-13-20-17(21-25-13)12-22(3)16-8-9-23(11-16)10-14-4-6-15(7-5-14)18(24)19-2/h4-7,16H,8-12H2,1-3H3,(H,19,24)
InChIKeyODDHOBCTGTTWPL-UHFFFAOYSA-N
XLogP1.40
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity441

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-1-(dipropylamino)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230790
(R)-N-(1-(benzyl(methyl)amino)propan-2-yl)-4-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzamide
CID 71230992
N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230799
(R)-N-(1-(5-Azaspiro[2.5]octan-5-yl)propan-2-yl)-4-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzamide
CID 122669618
N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230767
Hdac4-IN-1
CID 71230837
N-[(2R)-1-piperidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230957
N-[1-[benzyl(methyl)amino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230993
(R)-N-(1-(Azepan-1-yl)propan-2-yl)-4-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzamide
CID 122669605
N-(1-benzylpyrrolidin-3-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 164626703
N-[3-[benzyl(methyl)amino]-2,2-dimethyl-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 164881504
N-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 164881583

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide?
The IUPAC name of N-methyl-4-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide (CID 72122933) is N-methyl-4-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide is CC1=NC(=NO1)CN(C)C2CCN(C2)CC3=CC=C(C=C3)C(=O)NC.
What is the InChIKey of N-methyl-4-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide?
The InChIKey is ODDHOBCTGTTWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13-20-17(21-25-13)12-22(3)16-8-9-23(11-16)10-14-4-6-15(7-5-14)18(24)19-2/h4-7,16H,8-12H2,1-3H3,(H,19,24).
What are the key properties of N-methyl-4-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide?
N-methyl-4-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide has a molecular weight of 343.40 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide is sourced from PubChem (CID 72122933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).