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

C18H24N4O2 — CID 129351666

IUPACN-methyl-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1noc([C@H]2CCN(CC(=O)N(C)Cc3ccccc3C)C2)n1
InChIInChI=1S/C18H24N4O2/c1-13-6-4-5-7-15(13)10-21(3)17(23)12-22-9-8-16(11-22)18-19-14(2)20-24-18/h4-7,16H,8-12H2,1-3H3/t16-/m0/s1
InChIKeyKZMXZUIURCFHCW-INIZCTEOSA-N
MW328.42 g/mol
LogP2.13
Rot. Bonds5

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

N-methyl-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 129351666) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-methyl-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
PubChem CID129351666
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-methyl-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1noc([C@H]2CCN(CC(=O)N(C)Cc3ccccc3C)C2)n1
InChIInChI=1S/C18H24N4O2/c1-13-6-4-5-7-15(13)10-21(3)17(23)12-22-9-8-16(11-22)18-19-14(2)20-24-18/h4-7,16H,8-12H2,1-3H3/t16-/m0/s1
InChIKeyKZMXZUIURCFHCW-INIZCTEOSA-N
XLogP2.13
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of N-methyl-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide (CID 129351666) is N-methyl-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for N-methyl-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide is Cc1noc([C@H]2CCN(CC(=O)N(C)Cc3ccccc3C)C2)n1.
What is the InChIKey of N-methyl-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is KZMXZUIURCFHCW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-6-4-5-7-15(13)10-21(3)17(23)12-22-9-8-16(11-22)18-19-14(2)20-24-18/h4-7,16H,8-12H2,1-3H3/t16-/m0/s1.
What are the key properties of N-methyl-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide?
N-methyl-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 328.42 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 129351666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).