2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-2-methylpropanoic acid

C16H19N3O5 — CID 119187712

IUPAC2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-2-methylpropanoic acid
SMILESCCc1nc(COc2ccc(C(=O)NC(C)(C)C(=O)O)cc2)no1
InChIInChI=1S/C16H19N3O5/c1-4-13-17-12(19-24-13)9-23-11-7-5-10(6-8-11)14(20)18-16(2,3)15(21)22/h5-8H,4,9H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyWXATZIIYCKIMFL-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.80
Rot. Bonds7

About 2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-2-methylpropanoic acid

2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-2-methylpropanoic acid (PubChem CID 119187712) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-2-methylpropanoic acid
PubChem CID119187712
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-2-methylpropanoic acid
SMILESCCc1nc(COc2ccc(C(=O)NC(C)(C)C(=O)O)cc2)no1
InChIInChI=1S/C16H19N3O5/c1-4-13-17-12(19-24-13)9-23-11-7-5-10(6-8-11)14(20)18-16(2,3)15(21)22/h5-8H,4,9H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyWXATZIIYCKIMFL-UHFFFAOYSA-N
XLogP1.80
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-2-methylpropanoic acid with MolForge

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Related Compounds

N-(2-aminoethyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride
CID 119383309
5-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]pentanoic acid
CID 119234883
(2R)-2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-4-methylpentanoic acid
CID 119364476
2-[ethyl-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetic acid
CID 119206239
N-[2-(aminomethyl)cyclohexyl]-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride
CID 119610419
N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 63063220
1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-one
CID 115495429
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperazin-1-ylethyl)benzamide
CID 119446462
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 126777122
2-[[4-(2-methoxyethoxy)benzoyl]amino]-2-methylpropanoic acid
CID 75383535
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120599625
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 146099349

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-2-methylpropanoic acid (CID 119187712) is 2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-2-methylpropanoic acid is CCc1nc(COc2ccc(C(=O)NC(C)(C)C(=O)O)cc2)no1.
What is the InChIKey of 2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-2-methylpropanoic acid?
The InChIKey is WXATZIIYCKIMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-4-13-17-12(19-24-13)9-23-11-7-5-10(6-8-11)14(20)18-16(2,3)15(21)22/h5-8H,4,9H2,1-3H3,(H,18,20)(H,21,22).
What are the key properties of 2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-2-methylpropanoic acid?
2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-2-methylpropanoic acid has a molecular weight of 333.34 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 119187712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).