(2R)-3-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-1-ylbutanamide

C17H23N5O2 — CID 95979731

IUPAC(2R)-3-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-1-ylbutanamide
SMILESCC(C)[C@H](C(=O)NCc1nc(-c2ccccn2)no1)N1CCCC1
InChIInChI=1S/C17H23N5O2/c1-12(2)15(22-9-5-6-10-22)17(23)19-11-14-20-16(21-24-14)13-7-3-4-8-18-13/h3-4,7-8,12,15H,5-6,9-11H2,1-2H3,(H,19,23)/t15-/m1/s1
InChIKeyZRXIUELOKWWDQJ-OAHLLOKOSA-N
MW329.40 g/mol
LogP1.87
Rot. Bonds6

About (2R)-3-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-1-ylbutanamide

(2R)-3-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-1-ylbutanamide (PubChem CID 95979731) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2R)-3-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound Name(2R)-3-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-1-ylbutanamide
PubChem CID95979731
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(2R)-3-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-1-ylbutanamide
SMILESCC(C)[C@H](C(=O)NCc1nc(-c2ccccn2)no1)N1CCCC1
InChIInChI=1S/C17H23N5O2/c1-12(2)15(22-9-5-6-10-22)17(23)19-11-14-20-16(21-24-14)13-7-3-4-8-18-13/h3-4,7-8,12,15H,5-6,9-11H2,1-2H3,(H,19,23)/t15-/m1/s1
InChIKeyZRXIUELOKWWDQJ-OAHLLOKOSA-N
XLogP1.87
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474815
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(3S)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97268325
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-yn-1-amine
CID 79273565
6-chloro-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 75370633
(2S)-2-amino-N-[(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutanamide;hydrochloride
CID 120834896
(2S)-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
CID 104875727
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 119436794
2-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,7-dihydro-5H-1-benzofuran-3-carboxamide
CID 91841415
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 60837872
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345489
2-[4-(5-methyltetrazol-1-yl)phenyl]-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 131911141

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-1-ylbutanamide?
The IUPAC name of (2R)-3-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-1-ylbutanamide (CID 95979731) is (2R)-3-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for (2R)-3-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-1-ylbutanamide?
The canonical SMILES for (2R)-3-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-1-ylbutanamide is CC(C)[C@H](C(=O)NCc1nc(-c2ccccn2)no1)N1CCCC1.
What is the InChIKey of (2R)-3-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-1-ylbutanamide?
The InChIKey is ZRXIUELOKWWDQJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12(2)15(22-9-5-6-10-22)17(23)19-11-14-20-16(21-24-14)13-7-3-4-8-18-13/h3-4,7-8,12,15H,5-6,9-11H2,1-2H3,(H,19,23)/t15-/m1/s1.
What are the key properties of (2R)-3-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-1-ylbutanamide?
(2R)-3-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-1-ylbutanamide has a molecular weight of 329.40 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 95979731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).