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

C10H17N5O3 — CID 91782108

IUPAC3-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCc1noc(C(N)=O)n1
InChIInChI=1S/C10H17N5O3/c1-3-5(2)7(11)9(17)13-4-6-14-10(8(12)16)18-15-6/h5,7H,3-4,11H2,1-2H3,(H2,12,16)(H,13,17)/t5-,7-/m0/s1
InChIKeyNPYBTJFSYSTFNP-FSPLSTOPSA-N
MW255.28 g/mol
LogP-0.84
Rot. Bonds6

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

3-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 91782108) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID91782108
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name3-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCc1noc(C(N)=O)n1
InChIInChI=1S/C10H17N5O3/c1-3-5(2)7(11)9(17)13-4-6-14-10(8(12)16)18-15-6/h5,7H,3-4,11H2,1-2H3,(H2,12,16)(H,13,17)/t5-,7-/m0/s1
InChIKeyNPYBTJFSYSTFNP-FSPLSTOPSA-N
XLogP-0.84
TPSA137.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 91782108) is 3-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide is CC[C@H](C)[C@H](N)C(=O)NCc1noc(C(N)=O)n1.
What is the InChIKey of 3-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is NPYBTJFSYSTFNP-FSPLSTOPSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-3-5(2)7(11)9(17)13-4-6-14-10(8(12)16)18-15-6/h5,7H,3-4,11H2,1-2H3,(H2,12,16)(H,13,17)/t5-,7-/m0/s1.
What are the key properties of 3-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
3-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 255.28 g/mol, XLogP of -0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 91782108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).