N-methyl-5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide

C12H16N6O3 — CID 97131726

IUPACN-methyl-5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCC[C@@H](C(=O)NCc1nc(C(=O)NC)no1)n1cccn1
InChIInChI=1S/C12H16N6O3/c1-3-8(18-6-4-5-15-18)11(19)14-7-9-16-10(17-21-9)12(20)13-2/h4-6,8H,3,7H2,1-2H3,(H,13,20)(H,14,19)/t8-/m0/s1
InChIKeyPWTAGACKDHWYKC-QMMMGPOBSA-N
MW292.30 g/mol
LogP-0.11
Rot. Bonds6

About N-methyl-5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide

N-methyl-5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 97131726) has the molecular formula C12H16N6O3 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-methyl-5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID97131726
Molecular FormulaC12H16N6O3
Molecular Weight292.30 g/mol
Exact Mass292.13
IUPAC NameN-methyl-5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCC[C@@H](C(=O)NCc1nc(C(=O)NC)no1)n1cccn1
InChIInChI=1S/C12H16N6O3/c1-3-8(18-6-4-5-15-18)11(19)14-7-9-16-10(17-21-9)12(20)13-2/h4-6,8H,3,7H2,1-2H3,(H,13,20)(H,14,19)/t8-/m0/s1
InChIKeyPWTAGACKDHWYKC-QMMMGPOBSA-N
XLogP-0.11
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 124843027
(2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyrazol-1-ylbutanamide
CID 97148644
(2R)-2-pyrazol-1-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 97156398
(2S)-N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-pyrazol-1-ylbutanamide
CID 97112821
(2R)-N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-pyrazol-1-ylbutanamide
CID 97112822
(2R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 97149299
(2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-pyrazol-1-ylbutanamide
CID 97151638
(2S)-N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 124730361
N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-pyrazol-1-ylbutanamide
CID 72840622
(2S)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrazol-1-ylbutanamide
CID 97145040
(2R)-2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)butanamide
CID 97144566
5-[[2-[(4-chlorophenyl)methylsulfanyl]propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 118768339

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-methyl-5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 97131726) is N-methyl-5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-methyl-5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide is CC[C@@H](C(=O)NCc1nc(C(=O)NC)no1)n1cccn1.
What is the InChIKey of N-methyl-5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is PWTAGACKDHWYKC-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16N6O3/c1-3-8(18-6-4-5-15-18)11(19)14-7-9-16-10(17-21-9)12(20)13-2/h4-6,8H,3,7H2,1-2H3,(H,13,20)(H,14,19)/t8-/m0/s1.
What are the key properties of N-methyl-5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
N-methyl-5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 292.30 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 97131726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).