N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[(1S)-1-phenylpropyl]pyrrolidin-3-yl]acetamide

C19H26N4O2 — CID 100870478

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[(1S)-1-phenylpropyl]pyrrolidin-3-yl]acetamide
SMILESCC[C@@H](c1ccccc1)N1CC[C@@H](N(Cc2noc(C)n2)C(C)=O)C1
InChIInChI=1S/C19H26N4O2/c1-4-18(16-8-6-5-7-9-16)22-11-10-17(12-22)23(15(3)24)13-19-20-14(2)25-21-19/h5-9,17-18H,4,10-13H2,1-3H3/t17-,18+/m1/s1
InChIKeyODAGXJOTLXWPDI-MSOLQXFVSA-N
MW342.44 g/mol
LogP2.95
Rot. Bonds6

About N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[(1S)-1-phenylpropyl]pyrrolidin-3-yl]acetamide

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[(1S)-1-phenylpropyl]pyrrolidin-3-yl]acetamide (PubChem CID 100870478) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[(1S)-1-phenylpropyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[(1S)-1-phenylpropyl]pyrrolidin-3-yl]acetamide
PubChem CID100870478
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[(1S)-1-phenylpropyl]pyrrolidin-3-yl]acetamide
SMILESCC[C@@H](c1ccccc1)N1CC[C@@H](N(Cc2noc(C)n2)C(C)=O)C1
InChIInChI=1S/C19H26N4O2/c1-4-18(16-8-6-5-7-9-16)22-11-10-17(12-22)23(15(3)24)13-19-20-14(2)25-21-19/h5-9,17-18H,4,10-13H2,1-3H3/t17-,18+/m1/s1
InChIKeyODAGXJOTLXWPDI-MSOLQXFVSA-N
XLogP2.95
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Oxolamine
CID 13738
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(R)-3-amino-1-((S)-2-(5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
CID 45102670
(2S,3S)-2-amino-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(pyrrolidin-1-yl)butan-1-one
CID 23645686
3-(3-Phenyl-1,2,4-oxadiazol-5-yl)-1-(pyrrolidin-1-yl)propan-1-one
CID 665520
N-isopropyl-2,2-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
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CID 2943663
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CID 3245637
N,2-dimethyl-3-(1-pyrrolidinyl)-N-({3-[3-(trifluoromethyl)benzyl]-1,2,4-oxadiazol-5-yl}methyl)-1-propanamine
CID 16192087
(S)-N-(3-(4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl)-1-phenylpropyl)cyclobutanecarboxamide
CID 44415783
(R)-3-amino-1-((S)-2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[(1S)-1-phenylpropyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[(1S)-1-phenylpropyl]pyrrolidin-3-yl]acetamide (CID 100870478) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[(1S)-1-phenylpropyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[(1S)-1-phenylpropyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[(1S)-1-phenylpropyl]pyrrolidin-3-yl]acetamide is CC[C@@H](c1ccccc1)N1CC[C@@H](N(Cc2noc(C)n2)C(C)=O)C1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[(1S)-1-phenylpropyl]pyrrolidin-3-yl]acetamide?
The InChIKey is ODAGXJOTLXWPDI-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-4-18(16-8-6-5-7-9-16)22-11-10-17(12-22)23(15(3)24)13-19-20-14(2)25-21-19/h5-9,17-18H,4,10-13H2,1-3H3/t17-,18+/m1/s1.
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[(1S)-1-phenylpropyl]pyrrolidin-3-yl]acetamide?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[(1S)-1-phenylpropyl]pyrrolidin-3-yl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[(1S)-1-phenylpropyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 100870478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).