N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-(5-methylpyrazol-1-yl)propanamide

C13H19N5O2 — CID 124854193

IUPACN-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-(5-methylpyrazol-1-yl)propanamide
SMILESCC[C@H](NC(=O)CCn1nccc1C)c1nc(C)no1
InChIInChI=1S/C13H19N5O2/c1-4-11(13-15-10(3)17-20-13)16-12(19)6-8-18-9(2)5-7-14-18/h5,7,11H,4,6,8H2,1-3H3,(H,16,19)/t11-/m0/s1
InChIKeyWTURZXBZGAFUDH-NSHDSACASA-N
MW277.33 g/mol
LogP1.54
Rot. Bonds6

About N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-(5-methylpyrazol-1-yl)propanamide

N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-(5-methylpyrazol-1-yl)propanamide (PubChem CID 124854193) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-(5-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-(5-methylpyrazol-1-yl)propanamide
PubChem CID124854193
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC NameN-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-(5-methylpyrazol-1-yl)propanamide
SMILESCC[C@H](NC(=O)CCn1nccc1C)c1nc(C)no1
InChIInChI=1S/C13H19N5O2/c1-4-11(13-15-10(3)17-20-13)16-12(19)6-8-18-9(2)5-7-14-18/h5,7,11H,4,6,8H2,1-3H3,(H,16,19)/t11-/m0/s1
InChIKeyWTURZXBZGAFUDH-NSHDSACASA-N
XLogP1.54
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-(5-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-(5-methylpyrazol-1-yl)propanamide (CID 124854193) is N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-(5-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-(5-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-(5-methylpyrazol-1-yl)propanamide is CC[C@H](NC(=O)CCn1nccc1C)c1nc(C)no1.
What is the InChIKey of N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-(5-methylpyrazol-1-yl)propanamide?
The InChIKey is WTURZXBZGAFUDH-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N5O2/c1-4-11(13-15-10(3)17-20-13)16-12(19)6-8-18-9(2)5-7-14-18/h5,7,11H,4,6,8H2,1-3H3,(H,16,19)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-(5-methylpyrazol-1-yl)propanamide?
N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-(5-methylpyrazol-1-yl)propanamide has a molecular weight of 277.33 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-(5-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 124854193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).