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

C7H11N3O3 — CID 116808687

IUPAC2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]acetic acid
SMILESCCN(C)c1noc(CC(=O)O)n1
InChIInChI=1S/C7H11N3O3/c1-3-10(2)7-8-5(13-9-7)4-6(11)12/h3-4H2,1-2H3,(H,11,12)
InChIKeyDFGCXCGQPAHKFU-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.15
Rot. Bonds4

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

2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]acetic acid (PubChem CID 116808687) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]acetic acid
PubChem CID116808687
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]acetic acid
SMILESCCN(C)c1noc(CC(=O)O)n1
InChIInChI=1S/C7H11N3O3/c1-3-10(2)7-8-5(13-9-7)4-6(11)12/h3-4H2,1-2H3,(H,11,12)
InChIKeyDFGCXCGQPAHKFU-UHFFFAOYSA-N
XLogP0.15
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,2,4-Oxadiazol-5-yl propanoic acid
CID 129854980
2-(1,2,4-Oxadiazol-5-yl)acetic acid
CID 21312954
2-(3-Ethyl-1,2,4-oxadiazol-5-yl)acetic acid
CID 21312980
2-(3-Ethyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 21312995
2-(3-Methyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 21312998
2-(3-Methyl-1,2,4-oxadiazol-5-yl)acetic acid
CID 21313018
2-(3-Isopropyl-1,2,4-oxadiazol-5-yl)acetic acid
CID 33728375
2-(3-Formamido-1,2,4-oxadiazol-5-yl)acetic acid
CID 142811350
2-(3-Amino-1,2,4-oxadiazol-5-yl)acetic acid
CID 55290039
2-[3-[2-(Diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 61270491
2-(3-Propyl-1,2,4-oxadiazol-5-yl)acetic acid
CID 61272420
2-[3-[(Dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 79077769

Frequently Asked Questions

What is the IUPAC name of 2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]acetic acid?
The IUPAC name of 2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]acetic acid (CID 116808687) is 2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]acetic acid is CCN(C)c1noc(CC(=O)O)n1.
What is the InChIKey of 2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]acetic acid?
The InChIKey is DFGCXCGQPAHKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-3-10(2)7-8-5(13-9-7)4-6(11)12/h3-4H2,1-2H3,(H,11,12).
What are the key properties of 2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]acetic acid?
2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]acetic acid has a molecular weight of 185.18 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]acetic acid is sourced from PubChem (CID 116808687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).