2-chloro-N-[(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide

C20H19ClN4O2 — CID 98042268

IUPAC2-chloro-N-[(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CCN(Cc2noc(-c3ccccc3)n2)C1)c1ccccc1Cl
InChIInChI=1S/C20H19ClN4O2/c21-17-9-5-4-8-16(17)19(26)22-15-10-11-25(12-15)13-18-23-20(27-24-18)14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,22,26)/t15-/m1/s1
InChIKeyPLBBKEZMHGQWTA-OAHLLOKOSA-N
MW382.85 g/mol
LogP3.39
Rot. Bonds5

About 2-chloro-N-[(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide

2-chloro-N-[(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide (PubChem CID 98042268) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 2-chloro-N-[(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide
PubChem CID98042268
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name2-chloro-N-[(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CCN(Cc2noc(-c3ccccc3)n2)C1)c1ccccc1Cl
InChIInChI=1S/C20H19ClN4O2/c21-17-9-5-4-8-16(17)19(26)22-15-10-11-25(12-15)13-18-23-20(27-24-18)14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,22,26)/t15-/m1/s1
InChIKeyPLBBKEZMHGQWTA-OAHLLOKOSA-N
XLogP3.39
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-fluoro-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide
CID 71794533
1-benzyl-3-[(3S)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]urea
CID 98042276
1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63032406
(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol
CID 78963265
N-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 62545982
1-(3-fluorophenyl)-5-oxo-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]pyrrolidine-3-carboxamide
CID 71794536
N-(2-chlorophenyl)-2-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 112804309
1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 62068171
N-(1-benzylpyrrolidin-3-yl)-2-phenylbenzamide
CID 46546920
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95145261
2,3-dichloro-N-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]benzamide
CID 166287246
1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 50814395

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide (CID 98042268) is 2-chloro-N-[(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide is O=C(N[C@@H]1CCN(Cc2noc(-c3ccccc3)n2)C1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide?
The InChIKey is PLBBKEZMHGQWTA-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c21-17-9-5-4-8-16(17)19(26)22-15-10-11-25(12-15)13-18-23-20(27-24-18)14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,22,26)/t15-/m1/s1.
What are the key properties of 2-chloro-N-[(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide?
2-chloro-N-[(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide has a molecular weight of 382.85 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 98042268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).