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

C16H16ClN5O2 — CID 129325383

IUPACN-[(3R)-1-(3-chloro-4-cyanophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@]1(c2noc(C)n2)CCN(c2ccc(C#N)c(Cl)c2)C1
InChIInChI=1S/C16H16ClN5O2/c1-10(23)20-16(15-19-11(2)24-21-15)5-6-22(9-16)13-4-3-12(8-18)14(17)7-13/h3-4,7H,5-6,9H2,1-2H3,(H,20,23)/t16-/m1/s1
InChIKeyABXPJEGLKIXPNY-MRXNPFEDSA-N
MW345.79 g/mol
LogP2.14
Rot. Bonds3

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

N-[(3R)-1-(3-chloro-4-cyanophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide (PubChem CID 129325383) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-[(3R)-1-(3-chloro-4-cyanophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-(3-chloro-4-cyanophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide
PubChem CID129325383
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC NameN-[(3R)-1-(3-chloro-4-cyanophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@]1(c2noc(C)n2)CCN(c2ccc(C#N)c(Cl)c2)C1
InChIInChI=1S/C16H16ClN5O2/c1-10(23)20-16(15-19-11(2)24-21-15)5-6-22(9-16)13-4-3-12(8-18)14(17)7-13/h3-4,7H,5-6,9H2,1-2H3,(H,20,23)/t16-/m1/s1
InChIKeyABXPJEGLKIXPNY-MRXNPFEDSA-N
XLogP2.14
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3-chloro-4-cyanophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-(3-chloro-4-cyanophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide (CID 129325383) is N-[(3R)-1-(3-chloro-4-cyanophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-(3-chloro-4-cyanophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-(3-chloro-4-cyanophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@]1(c2noc(C)n2)CCN(c2ccc(C#N)c(Cl)c2)C1.
What is the InChIKey of N-[(3R)-1-(3-chloro-4-cyanophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is ABXPJEGLKIXPNY-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c1-10(23)20-16(15-19-11(2)24-21-15)5-6-22(9-16)13-4-3-12(8-18)14(17)7-13/h3-4,7H,5-6,9H2,1-2H3,(H,20,23)/t16-/m1/s1.
What are the key properties of N-[(3R)-1-(3-chloro-4-cyanophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide?
N-[(3R)-1-(3-chloro-4-cyanophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 345.79 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(3-chloro-4-cyanophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 129325383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).