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

C10H17N5O3 — CID 66950385

IUPAC5-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)(C)[C@H](N)C(=O)NCc1nnc(C(N)=O)o1
InChIInChI=1S/C10H17N5O3/c1-10(2,3)6(11)8(17)13-4-5-14-15-9(18-5)7(12)16/h6H,4,11H2,1-3H3,(H2,12,16)(H,13,17)/t6-/m1/s1
InChIKeyQWTUVGPSHXEWSN-ZCFIWIBFSA-N
MW255.28 g/mol
LogP-0.84
Rot. Bonds4

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

5-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 66950385) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID66950385
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name5-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)(C)[C@H](N)C(=O)NCc1nnc(C(N)=O)o1
InChIInChI=1S/C10H17N5O3/c1-10(2,3)6(11)8(17)13-4-5-14-15-9(18-5)7(12)16/h6H,4,11H2,1-3H3,(H2,12,16)(H,13,17)/t6-/m1/s1
InChIKeyQWTUVGPSHXEWSN-ZCFIWIBFSA-N
XLogP-0.84
TPSA137.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 5-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxamide (CID 66950385) is 5-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxamide is CC(C)(C)[C@H](N)C(=O)NCc1nnc(C(N)=O)o1.
What is the InChIKey of 5-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is QWTUVGPSHXEWSN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-10(2,3)6(11)8(17)13-4-5-14-15-9(18-5)7(12)16/h6H,4,11H2,1-3H3,(H2,12,16)(H,13,17)/t6-/m1/s1.
What are the key properties of 5-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxamide?
5-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 255.28 g/mol, XLogP of -0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 66950385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).