(3R)-3-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-phenylpyrrolidin-2-one

C18H24N4O2 — CID 95619575

IUPAC(3R)-3-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-phenylpyrrolidin-2-one
SMILESCCN(Cc1nc(C(C)C)no1)[C@@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C18H24N4O2/c1-4-21(12-16-19-17(13(2)3)20-24-16)15-10-11-22(18(15)23)14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3/t15-/m1/s1
InChIKeyLLHFWDHCAOMFKB-OAHLLOKOSA-N
MW328.42 g/mol
LogP2.82
Rot. Bonds6

About (3R)-3-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-phenylpyrrolidin-2-one

(3R)-3-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-phenylpyrrolidin-2-one (PubChem CID 95619575) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (3R)-3-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-phenylpyrrolidin-2-one
PubChem CID95619575
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(3R)-3-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-phenylpyrrolidin-2-one
SMILESCCN(Cc1nc(C(C)C)no1)[C@@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C18H24N4O2/c1-4-21(12-16-19-17(13(2)3)20-24-16)15-10-11-22(18(15)23)14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3/t15-/m1/s1
InChIKeyLLHFWDHCAOMFKB-OAHLLOKOSA-N
XLogP2.82
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-ethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 72043194
US11352339, Example 69
CID 130468593
1-[(3-Benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-4-phenylpiperazine
CID 16189095
1-(3-fluorophenyl)-3-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea
CID 25338703
1-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-3-phenylurea
CID 25338710
1-(4-fluorophenyl)-3-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea
CID 28960921
3-Ethyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 40141357
4-(3-Ethyl-1,2,4-oxadiazol-5-yl)-1-(2-fluorophenyl)pyrrolidin-2-one
CID 44091153
1-(2-((4-fluorophenyl)amino)-2-oxoethyl)-N-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)piperidine-4-carboxamide
CID 45497724
2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(4-methylphenyl)acetamide
CID 47022427
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyrrolidin-1-ylphenyl)methanamine
CID 47052984
N,N-dimethyl-2-[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide
CID 47077683

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-phenylpyrrolidin-2-one?
The IUPAC name of (3R)-3-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-phenylpyrrolidin-2-one (CID 95619575) is (3R)-3-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-phenylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-phenylpyrrolidin-2-one is CCN(Cc1nc(C(C)C)no1)[C@@H]1CCN(c2ccccc2)C1=O.
What is the InChIKey of (3R)-3-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-phenylpyrrolidin-2-one?
The InChIKey is LLHFWDHCAOMFKB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-4-21(12-16-19-17(13(2)3)20-24-16)15-10-11-22(18(15)23)14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3/t15-/m1/s1.
What are the key properties of (3R)-3-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-phenylpyrrolidin-2-one?
(3R)-3-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-phenylpyrrolidin-2-one has a molecular weight of 328.42 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 95619575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).