N-[(3S,4R)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide

C18H24N4O2 — CID 72920275

IUPACN-[(3S,4R)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(Cc2nnc(-c3ccccc3)o2)C[C@H]1C(C)C
InChIInChI=1S/C18H24N4O2/c1-12(2)15-9-22(10-16(15)19-13(3)23)11-17-20-21-18(24-17)14-7-5-4-6-8-14/h4-8,12,15-16H,9-11H2,1-3H3,(H,19,23)/t15-,16+/m0/s1
InChIKeyHIOKDPXZLUTMIA-JKSUJKDBSA-N
MW328.42 g/mol
LogP2.33
Rot. Bonds5

About N-[(3S,4R)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide

N-[(3S,4R)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide (PubChem CID 72920275) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(3S,4R)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
PubChem CID72920275
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[(3S,4R)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(Cc2nnc(-c3ccccc3)o2)C[C@H]1C(C)C
InChIInChI=1S/C18H24N4O2/c1-12(2)15-9-22(10-16(15)19-13(3)23)11-17-20-21-18(24-17)14-7-5-4-6-8-14/h4-8,12,15-16H,9-11H2,1-3H3,(H,19,23)/t15-,16+/m0/s1
InChIKeyHIOKDPXZLUTMIA-JKSUJKDBSA-N
XLogP2.33
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-{4-[3-(1,3,4-oxadiazol-2-yl)phenyl]phenyl}-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895841
N-cyclohexyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 16192128
1-Ethyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine
CID 8071224
2-Phenyl-5-(piperidylmethyl)-1,3,4-oxadiazole, chloride
CID 18775228
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-benzamido-3-methylbutanoate
CID 2487892
3-[[5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2999998
N-(1-phenylethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 16192092
oxalic acid;N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 16196763
Ethyl 4-{[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}piperazine-1-carboxylate
CID 24761525
(S)-1-((3R,4R)-1-(4-(5-methyl-1,3,4-oxadiazol-2-yl)benzyl)-3-aminopyrrolidine-4-carbonyl)pyrrolidine-2-carbonitrile
CID 44443354
(R)-1-(2-fluorophenyl)-4-((S)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl)butan-2-amine
CID 45487907
(S)-2-(1-((S)-1-carboxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylcarbamoyl)cyclopentylamino)-4-methoxybutanoic acid
CID 54586624

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide (CID 72920275) is N-[(3S,4R)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CN(Cc2nnc(-c3ccccc3)o2)C[C@H]1C(C)C.
What is the InChIKey of N-[(3S,4R)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The InChIKey is HIOKDPXZLUTMIA-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12(2)15-9-22(10-16(15)19-13(3)23)11-17-20-21-18(24-17)14-7-5-4-6-8-14/h4-8,12,15-16H,9-11H2,1-3H3,(H,19,23)/t15-,16+/m0/s1.
What are the key properties of N-[(3S,4R)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide has a molecular weight of 328.42 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72920275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).