(3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide

C27H24N4O4 — CID 39868619

IUPAC(3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(CN2CC[C@H](C(=O)Nc3ccc(-c4nc(-c5ccccc5)no4)cc3)C2=O)cc1
InChIInChI=1S/C27H24N4O4/c1-34-22-13-7-18(8-14-22)17-31-16-15-23(27(31)33)25(32)28-21-11-9-20(10-12-21)26-29-24(30-35-26)19-5-3-2-4-6-19/h2-14,23H,15-17H2,1H3,(H,28,32)/t23-/m1/s1
InChIKeyPAZPDMCCBYGONV-HSZRJFAPSA-N
MW468.51 g/mol
LogP4.40
Rot. Bonds7

About (3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide

(3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 39868619) has the molecular formula C27H24N4O4 and a molecular weight of 468.51 g/mol. Its IUPAC name is (3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide
PubChem CID39868619
Molecular FormulaC27H24N4O4
Molecular Weight468.51 g/mol
Exact Mass468.18
IUPAC Name(3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(CN2CC[C@H](C(=O)Nc3ccc(-c4nc(-c5ccccc5)no4)cc3)C2=O)cc1
InChIInChI=1S/C27H24N4O4/c1-34-22-13-7-18(8-14-22)17-31-16-15-23(27(31)33)25(32)28-21-11-9-20(10-12-21)26-29-24(30-35-26)19-5-3-2-4-6-19/h2-14,23H,15-17H2,1H3,(H,28,32)/t23-/m1/s1
InChIKeyPAZPDMCCBYGONV-HSZRJFAPSA-N
XLogP4.40
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenylacetamide
CID 50747785
N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829238
(3R)-1-benzyl-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95740886
N-(4-methoxyphenyl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237937
4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylaniline
CID 155374553
N-(4-methoxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
CID 50814495
2-[(4-methoxyphenyl)methyl]-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione
CID 91890492
N-[(4-methoxyphenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238050
1-butan-2-yl-3-[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 50778382
2-(4-methoxyphenyl)-N-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 3425643
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 46257727
N-(4-methoxyphenyl)-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266503

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide (CID 39868619) is (3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide is COc1ccc(CN2CC[C@H](C(=O)Nc3ccc(-c4nc(-c5ccccc5)no4)cc3)C2=O)cc1.
What is the InChIKey of (3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is PAZPDMCCBYGONV-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H24N4O4/c1-34-22-13-7-18(8-14-22)17-31-16-15-23(27(31)33)25(32)28-21-11-9-20(10-12-21)26-29-24(30-35-26)19-5-3-2-4-6-19/h2-14,23H,15-17H2,1H3,(H,28,32)/t23-/m1/s1.
What are the key properties of (3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide?
(3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 468.51 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 39868619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).