(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide

C22H24N4O2 — CID 95116695

IUPAC(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide
SMILESCc1cccc(-c2noc([C@@H]3CCCN3C(=O)NCCc3ccccc3)n2)c1
InChIInChI=1S/C22H24N4O2/c1-16-7-5-10-18(15-16)20-24-21(28-25-20)19-11-6-14-26(19)22(27)23-13-12-17-8-3-2-4-9-17/h2-5,7-10,15,19H,6,11-14H2,1H3,(H,23,27)/t19-/m0/s1
InChIKeyCJTRDBJGLHNOKU-IBGZPJMESA-N
MW376.46 g/mol
LogP4.13
Rot. Bonds5

About (2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide

(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide (PubChem CID 95116695) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is (2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide
PubChem CID95116695
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide
SMILESCc1cccc(-c2noc([C@@H]3CCCN3C(=O)NCCc3ccccc3)n2)c1
InChIInChI=1S/C22H24N4O2/c1-16-7-5-10-18(15-16)20-24-21(28-25-20)19-11-6-14-26(19)22(27)23-13-12-17-8-3-2-4-9-17/h2-5,7-10,15,19H,6,11-14H2,1H3,(H,23,27)/t19-/m0/s1
InChIKeyCJTRDBJGLHNOKU-IBGZPJMESA-N
XLogP4.13
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 95057746
(2R)-N-(3-methoxypropyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95116692
N-(3-methoxypropyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53206212
N-butyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42760781
N-ethyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 3675967
(2S)-N-cyclopentyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95116675
N-benzyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 5214054
N-butan-2-yl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53206204
(2R)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 95057957
(2S)-N-(3,4-dimethylphenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7271519
N-(2-chlorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53206213
2-methyl-1-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one
CID 42765155

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide (CID 95116695) is (2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide is Cc1cccc(-c2noc([C@@H]3CCCN3C(=O)NCCc3ccccc3)n2)c1.
What is the InChIKey of (2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
The InChIKey is CJTRDBJGLHNOKU-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16-7-5-10-18(15-16)20-24-21(28-25-20)19-11-6-14-26(19)22(27)23-13-12-17-8-3-2-4-9-17/h2-5,7-10,15,19H,6,11-14H2,1H3,(H,23,27)/t19-/m0/s1.
What are the key properties of (2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95116695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).