(2S)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide

C11H15N5O2 — CID 126446968

IUPAC(2S)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide
SMILESC[C@@H](C(=O)N(C)CCc1ncon1)n1cccn1
InChIInChI=1S/C11H15N5O2/c1-9(16-6-3-5-13-16)11(17)15(2)7-4-10-12-8-18-14-10/h3,5-6,8-9H,4,7H2,1-2H3/t9-/m0/s1
InChIKeyLPUJZRPNVDYTOM-VIFPVBQESA-N
MW249.27 g/mol
LogP0.53
Rot. Bonds5

About (2S)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide

(2S)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide (PubChem CID 126446968) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is (2S)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide
PubChem CID126446968
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name(2S)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide
SMILESC[C@@H](C(=O)N(C)CCc1ncon1)n1cccn1
InChIInChI=1S/C11H15N5O2/c1-9(16-6-3-5-13-16)11(17)15(2)7-4-10-12-8-18-14-10/h3,5-6,8-9H,4,7H2,1-2H3/t9-/m0/s1
InChIKeyLPUJZRPNVDYTOM-VIFPVBQESA-N
XLogP0.53
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide
CID 125142916
3-[methyl(2-pyrazol-1-ylpropanoyl)amino]propanoic acid
CID 60988614
N-[3-(azepan-1-yl)propyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 119066815
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 134048451
N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide
CID 157011420
(2R)-2-(3-acetylindol-1-yl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide
CID 126442731
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 86822678
N-[2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 86853291
N-[1-(4-hydroxyphenyl)ethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 61043232
(2S)-N-[2-(2-fluoro-N-methylanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 95335128
N-[2-(dicyclopropylmethylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 87022204
N-[2-(3-aminopropylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 119408371

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of (2S)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide (CID 126446968) is (2S)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for (2S)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for (2S)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide is C[C@@H](C(=O)N(C)CCc1ncon1)n1cccn1.
What is the InChIKey of (2S)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is LPUJZRPNVDYTOM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N5O2/c1-9(16-6-3-5-13-16)11(17)15(2)7-4-10-12-8-18-14-10/h3,5-6,8-9H,4,7H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide?
(2S)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 249.27 g/mol, XLogP of 0.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 126446968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).