(2R,3S)-N-[(1S)-2,2-dimethyl-1-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide

C19H34N4O5 — CID 10126693

IUPAC(2R,3S)-N-[(1S)-2,2-dimethyl-1-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide
SMILESCC(C)Cc1nc([C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C)no1
InChIInChI=1S/C19H34N4O5/c1-10(2)8-12(14(24)18(26)22-27)17(25)21-15(19(5,6)7)16-20-13(28-23-16)9-11(3)4/h10-12,14-15,24,27H,8-9H2,1-7H3,(H,21,25)(H,22,26)/t12-,14+,15-/m1/s1
InChIKeyRRAKNEOVGBGFIF-VHDGCEQUSA-N
MW398.50 g/mol
LogP2.00
Rot. Bonds9

About (2R,3S)-N-[(1S)-2,2-dimethyl-1-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide

(2R,3S)-N-[(1S)-2,2-dimethyl-1-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide (PubChem CID 10126693) has the molecular formula C19H34N4O5 and a molecular weight of 398.50 g/mol. Its IUPAC name is (2R,3S)-N-[(1S)-2,2-dimethyl-1-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide.

Molecular Properties

Compound Name(2R,3S)-N-[(1S)-2,2-dimethyl-1-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide
PubChem CID10126693
Molecular FormulaC19H34N4O5
Molecular Weight398.50 g/mol
Exact Mass398.25
IUPAC Name(2R,3S)-N-[(1S)-2,2-dimethyl-1-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide
SMILESCC(C)Cc1nc([C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C)no1
InChIInChI=1S/C19H34N4O5/c1-10(2)8-12(14(24)18(26)22-27)17(25)21-15(19(5,6)7)16-20-13(28-23-16)9-11(3)4/h10-12,14-15,24,27H,8-9H2,1-7H3,(H,21,25)(H,22,26)/t12-,14+,15-/m1/s1
InChIKeyRRAKNEOVGBGFIF-VHDGCEQUSA-N
XLogP2.00
TPSA137.58 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-N-[(1S)-2,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide
CID 135681453
2-[[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid
CID 21299462
(2R,3S)-N-[1-(tert-butylamino)-3,3-dimethyl-1-oxobutan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide
CID 10619360
(2S,3R)-N,2-dihydroxy-N'-methyl-3-(2-methylpropyl)butanediamide
CID 90478336
1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096173
(2R)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)-N-[(1S)-2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-4-methylpentanamide
CID 67094553
N-[2,2-dimethyl-4-(methylamino)-4-oxobutyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide
CID 135281872
2-amino-2-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633382
(2R,3S)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,5-dihydroxy-4-oxopentanamide
CID 10216297
1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 113443194
benzyl (2S)-2-[[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-4-methylpentanoate
CID 59050280
3-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]butanoic acid
CID 55122801

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[(1S)-2,2-dimethyl-1-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide?
The IUPAC name of (2R,3S)-N-[(1S)-2,2-dimethyl-1-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide (CID 10126693) is (2R,3S)-N-[(1S)-2,2-dimethyl-1-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide.
What is the SMILES notation for (2R,3S)-N-[(1S)-2,2-dimethyl-1-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide?
The canonical SMILES for (2R,3S)-N-[(1S)-2,2-dimethyl-1-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide is CC(C)Cc1nc([C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C)no1.
What is the InChIKey of (2R,3S)-N-[(1S)-2,2-dimethyl-1-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide?
The InChIKey is RRAKNEOVGBGFIF-VHDGCEQUSA-N. The full InChI is InChI=1S/C19H34N4O5/c1-10(2)8-12(14(24)18(26)22-27)17(25)21-15(19(5,6)7)16-20-13(28-23-16)9-11(3)4/h10-12,14-15,24,27H,8-9H2,1-7H3,(H,21,25)(H,22,26)/t12-,14+,15-/m1/s1.
What are the key properties of (2R,3S)-N-[(1S)-2,2-dimethyl-1-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide?
(2R,3S)-N-[(1S)-2,2-dimethyl-1-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide has a molecular weight of 398.50 g/mol, XLogP of 2.00, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[(1S)-2,2-dimethyl-1-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide is sourced from PubChem (CID 10126693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).