(2R)-2-[[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]propanoic acid

C16H19N3O4 — CID 119244546

IUPAC(2R)-2-[[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)c1ccccc1-c1nc(C(C)(C)C)no1)C(=O)O
InChIInChI=1S/C16H19N3O4/c1-9(14(21)22)17-12(20)10-7-5-6-8-11(10)13-18-15(19-23-13)16(2,3)4/h5-9H,1-4H3,(H,17,20)(H,21,22)/t9-/m1/s1
InChIKeyFKFWUHZEIWNSDD-SECBINFHSA-N
MW317.35 g/mol
LogP2.24
Rot. Bonds4

About (2R)-2-[[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]propanoic acid

(2R)-2-[[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]propanoic acid (PubChem CID 119244546) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is (2R)-2-[[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]propanoic acid
PubChem CID119244546
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name(2R)-2-[[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)c1ccccc1-c1nc(C(C)(C)C)no1)C(=O)O
InChIInChI=1S/C16H19N3O4/c1-9(14(21)22)17-12(20)10-7-5-6-8-11(10)13-18-15(19-23-13)16(2,3)4/h5-9H,1-4H3,(H,17,20)(H,21,22)/t9-/m1/s1
InChIKeyFKFWUHZEIWNSDD-SECBINFHSA-N
XLogP2.24
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 29078211
(2S)-2-[[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]hexanoic acid
CID 120614642
N-(3-aminobutyl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide
CID 119499680
N-(1,3-benzothiazol-2-yl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide
CID 56800922
4-[[[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]methyl]oxane-4-carboxylic acid
CID 120541919
(2R)-4-methyl-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]pentanoic acid
CID 119364440
2-[4-[[[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698292
N-[2-(aminomethyl)cyclopentyl]-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 119605262
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-(2,6-difluorophenyl)cyclopropyl]benzamide
CID 99808617
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide
CID 3267440
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide
CID 665429
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-propoxy-3-pyridinyl)methyl]benzamide
CID 52879974

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]propanoic acid (CID 119244546) is (2R)-2-[[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]propanoic acid is C[C@@H](NC(=O)c1ccccc1-c1nc(C(C)(C)C)no1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]propanoic acid?
The InChIKey is FKFWUHZEIWNSDD-SECBINFHSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-9(14(21)22)17-12(20)10-7-5-6-8-11(10)13-18-15(19-23-13)16(2,3)4/h5-9H,1-4H3,(H,17,20)(H,21,22)/t9-/m1/s1.
What are the key properties of (2R)-2-[[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]propanoic acid?
(2R)-2-[[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]propanoic acid has a molecular weight of 317.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 119244546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).