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

C16H18N6O2 — CID 97153527

IUPAC(2S)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
SMILESCC[C@@H](C(=O)N(C)Cc1nc(-c2ccncc2)no1)n1cccn1
InChIInChI=1S/C16H18N6O2/c1-3-13(22-10-4-7-18-22)16(23)21(2)11-14-19-15(20-24-14)12-5-8-17-9-6-12/h4-10,13H,3,11H2,1-2H3/t13-/m0/s1
InChIKeyBCLISEKQCMETIF-ZDUSSCGKSA-N
MW326.36 g/mol
LogP1.94
Rot. Bonds6

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

(2S)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide (PubChem CID 97153527) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is (2S)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
PubChem CID97153527
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name(2S)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
SMILESCC[C@@H](C(=O)N(C)Cc1nc(-c2ccncc2)no1)n1cccn1
InChIInChI=1S/C16H18N6O2/c1-3-13(22-10-4-7-18-22)16(23)21(2)11-14-19-15(20-24-14)12-5-8-17-9-6-12/h4-10,13H,3,11H2,1-2H3/t13-/m0/s1
InChIKeyBCLISEKQCMETIF-ZDUSSCGKSA-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

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Related Compounds

(2R)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 97143739
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 96579384
(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 97148008
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 70773837
3-(1-imidazol-1-ylbutan-2-yl)-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 121496407
N-methyl-2-pyrazol-1-yl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 72923212
(2R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-pyrazol-1-ylbutanamide
CID 97122893
1-methyl-3-[1-(1-methylpiperidin-4-yl)ethyl]-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 122566587
(2R)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyrazol-1-ylbutanamide
CID 95140902
N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 70760900
N-methyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 6463137
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-pyrazol-1-ylbutanamide
CID 135098669

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
The IUPAC name of (2S)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide (CID 97153527) is (2S)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide.
What is the SMILES notation for (2S)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
The canonical SMILES for (2S)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide is CC[C@@H](C(=O)N(C)Cc1nc(-c2ccncc2)no1)n1cccn1.
What is the InChIKey of (2S)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
The InChIKey is BCLISEKQCMETIF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-3-13(22-10-4-7-18-22)16(23)21(2)11-14-19-15(20-24-14)12-5-8-17-9-6-12/h4-10,13H,3,11H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
(2S)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-4-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 (2S)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide is sourced from PubChem (CID 97153527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).