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

C16H19N3O5 — CID 119206239

IUPAC2-[ethyl-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetic acid
SMILESCCc1nc(COc2ccc(C(=O)N(CC)CC(=O)O)cc2)no1
InChIInChI=1S/C16H19N3O5/c1-3-14-17-13(18-24-14)10-23-12-7-5-11(6-8-12)16(22)19(4-2)9-15(20)21/h5-8H,3-4,9-10H2,1-2H3,(H,20,21)
InChIKeyZPPXEOJPJYCNCI-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.76
Rot. Bonds8

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

2-[ethyl-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetic acid (PubChem CID 119206239) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-[ethyl-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetic acid
PubChem CID119206239
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name2-[ethyl-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetic acid
SMILESCCc1nc(COc2ccc(C(=O)N(CC)CC(=O)O)cc2)no1
InChIInChI=1S/C16H19N3O5/c1-3-14-17-13(18-24-14)10-23-12-7-5-11(6-8-12)16(22)19(4-2)9-15(20)21/h5-8H,3-4,9-10H2,1-2H3,(H,20,21)
InChIKeyZPPXEOJPJYCNCI-UHFFFAOYSA-N
XLogP1.76
TPSA105.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-2-methylpropanoic acid
CID 119187712
5-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]pentanoic acid
CID 119234883
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-methyl-N-piperidin-4-ylbenzamide
CID 119442398
N-(2-aminoethyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride
CID 119383309
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-piperidin-4-yl-N-propylbenzamide
CID 119824236
2-[ethyl-[4-(2-methoxyethoxy)benzoyl]amino]acetic acid
CID 119206355
N,N-diethyl-4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide
CID 32766350
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119531034
(2R)-2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-4-methylpentanoic acid
CID 119364476
1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone
CID 28782310
4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N,N-diethylbenzamide
CID 166187595

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetic acid (CID 119206239) is 2-[ethyl-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetic acid is CCc1nc(COc2ccc(C(=O)N(CC)CC(=O)O)cc2)no1.
What is the InChIKey of 2-[ethyl-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetic acid?
The InChIKey is ZPPXEOJPJYCNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-3-14-17-13(18-24-14)10-23-12-7-5-11(6-8-12)16(22)19(4-2)9-15(20)21/h5-8H,3-4,9-10H2,1-2H3,(H,20,21).
What are the key properties of 2-[ethyl-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetic acid?
2-[ethyl-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetic acid has a molecular weight of 333.34 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetic acid is sourced from PubChem (CID 119206239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).