(3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylphenyl)pyrrolidine-1-carboxamide

C20H20N4O3 — CID 100644680

IUPAC(3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylphenyl)pyrrolidine-1-carboxamide
SMILESCc1noc([C@@]2(O)CCN(C(=O)Nc3ccccc3-c3ccccc3)C2)n1
InChIInChI=1S/C20H20N4O3/c1-14-21-18(27-23-14)20(26)11-12-24(13-20)19(25)22-17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-10,26H,11-13H2,1H3,(H,22,25)/t20-/m1/s1
InChIKeyBUGAVVQFMXISGW-HXUWFJFHSA-N
MW364.41 g/mol
LogP3.17
Rot. Bonds3

About (3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylphenyl)pyrrolidine-1-carboxamide

(3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylphenyl)pyrrolidine-1-carboxamide (PubChem CID 100644680) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylphenyl)pyrrolidine-1-carboxamide
PubChem CID100644680
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name(3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylphenyl)pyrrolidine-1-carboxamide
SMILESCc1noc([C@@]2(O)CCN(C(=O)Nc3ccccc3-c3ccccc3)C2)n1
InChIInChI=1S/C20H20N4O3/c1-14-21-18(27-23-14)20(26)11-12-24(13-20)19(25)22-17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-10,26H,11-13H2,1H3,(H,22,25)/t20-/m1/s1
InChIKeyBUGAVVQFMXISGW-HXUWFJFHSA-N
XLogP3.17
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(2,3-dimethylphenyl)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 100640883
4-hydroxy-4-(2-methylphenyl)-N-(2-phenylphenyl)piperidine-1-carboxamide
CID 99774747
[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-naphthalen-2-ylmethanone
CID 119035596
[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 167862030
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide
CID 23769406
2,6-dimethyl-N-(2-phenylphenyl)morpholine-4-carboxamide
CID 23604703
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 119035597
(3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylphenyl)piperidine-1-carboxamide
CID 1457501
[(3S)-1-cyclohexylpyrrolidin-3-yl]-[(3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 124889969
3-methyl-1-[[2-(4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122086440
2-[2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]phenyl]acetic acid
CID 103357280
(3R)-3-phenyl-N-(2-phenylphenyl)piperidine-1-carboxamide
CID 1433497

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylphenyl)pyrrolidine-1-carboxamide (CID 100644680) is (3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylphenyl)pyrrolidine-1-carboxamide is Cc1noc([C@@]2(O)CCN(C(=O)Nc3ccccc3-c3ccccc3)C2)n1.
What is the InChIKey of (3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is BUGAVVQFMXISGW-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-14-21-18(27-23-14)20(26)11-12-24(13-20)19(25)22-17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-10,26H,11-13H2,1H3,(H,22,25)/t20-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylphenyl)pyrrolidine-1-carboxamide?
(3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 100644680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).