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

C16H18N6O2 — CID 97143739

IUPAC(2R)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
SMILESCC[C@H](C(=O)N(C)Cc1nc(-c2cccnc2)no1)n1cccn1
InChIInChI=1S/C16H18N6O2/c1-3-13(22-9-5-8-18-22)16(23)21(2)11-14-19-15(20-24-14)12-6-4-7-17-10-12/h4-10,13H,3,11H2,1-2H3/t13-/m1/s1
InChIKeyMIUGWHZFCZKBPZ-CYBMUJFWSA-N
MW326.36 g/mol
LogP1.94
Rot. Bonds6

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

(2R)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide (PubChem CID 97143739) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is (2R)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
PubChem CID97143739
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name(2R)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
SMILESCC[C@H](C(=O)N(C)Cc1nc(-c2cccnc2)no1)n1cccn1
InChIInChI=1S/C16H18N6O2/c1-3-13(22-9-5-8-18-22)16(23)21(2)11-14-19-15(20-24-14)12-6-4-7-17-10-12/h4-10,13H,3,11H2,1-2H3/t13-/m1/s1
InChIKeyMIUGWHZFCZKBPZ-CYBMUJFWSA-N
XLogP1.94
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2R)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide with MolForge

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Related Compounds

(2S)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 97153527
(2S,3R)-3-pyrazol-1-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 95351937
(2R,3S)-3-pyrazol-1-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 95351940
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 70717806
(2R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide
CID 125169618
N-methyl-2,4-dioxo-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-6-carboxamide
CID 70736396
N-methyl-2-pyrazol-1-yl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 72923212
2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 70759969
3-ethyl-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-2-carboxamide
CID 70754814
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetamide
CID 173127874
1,1-difluoro-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 55203346
methyl 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474655

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
The IUPAC name of (2R)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide (CID 97143739) is (2R)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide.
What is the SMILES notation for (2R)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
The canonical SMILES for (2R)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide is CC[C@H](C(=O)N(C)Cc1nc(-c2cccnc2)no1)n1cccn1.
What is the InChIKey of (2R)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
The InChIKey is MIUGWHZFCZKBPZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-3-13(22-9-5-8-18-22)16(23)21(2)11-14-19-15(20-24-14)12-6-4-7-17-10-12/h4-10,13H,3,11H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
(2R)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide has a molecular weight of 326.36 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide is sourced from PubChem (CID 97143739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).