2-[N-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]anilino]acetic acid

C13H14N4O4 — CID 106404698

IUPAC2-[N-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]anilino]acetic acid
SMILESO=C(O)CN(C(=O)NCCc1ncon1)c1ccccc1
InChIInChI=1S/C13H14N4O4/c18-12(19)8-17(10-4-2-1-3-5-10)13(20)14-7-6-11-15-9-21-16-11/h1-5,9H,6-8H2,(H,14,20)(H,18,19)
InChIKeyJIWIEPDDCBSKPT-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.91
Rot. Bonds6

About 2-[N-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]anilino]acetic acid

2-[N-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]anilino]acetic acid (PubChem CID 106404698) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-[N-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[N-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]anilino]acetic acid
PubChem CID106404698
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name2-[N-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]anilino]acetic acid
SMILESO=C(O)CN(C(=O)NCCc1ncon1)c1ccccc1
InChIInChI=1S/C13H14N4O4/c18-12(19)8-17(10-4-2-1-3-5-10)13(20)14-7-6-11-15-9-21-16-11/h1-5,9H,6-8H2,(H,14,20)(H,18,19)
InChIKeyJIWIEPDDCBSKPT-UHFFFAOYSA-N
XLogP0.91
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-2-sulfanylpropanamide
CID 106410118
4-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl-propan-2-ylamino]butanoic acid
CID 106404699
2-[N-(pent-4-ynylcarbamoyl)anilino]acetic acid
CID 113364158
6-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]hexanamide
CID 106397822
2-[N-(2-pyrrolidin-1-ylethylcarbamoyl)anilino]acetic acid
CID 62634827
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylurea
CID 106395850
2,3-dimethyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-4-oxobut-2-enoic acid
CID 106394755
2-hydroxy-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106509755
2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106395575
4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-2-carboxamide
CID 106396198
2-[N-(3-propoxypropylcarbamoyl)anilino]acetic acid
CID 82941568
N-benzyl-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396500

Frequently Asked Questions

What is the IUPAC name of 2-[N-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]anilino]acetic acid?
The IUPAC name of 2-[N-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]anilino]acetic acid (CID 106404698) is 2-[N-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]anilino]acetic acid.
What is the SMILES notation for 2-[N-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]anilino]acetic acid?
The canonical SMILES for 2-[N-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]anilino]acetic acid is O=C(O)CN(C(=O)NCCc1ncon1)c1ccccc1.
What is the InChIKey of 2-[N-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]anilino]acetic acid?
The InChIKey is JIWIEPDDCBSKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c18-12(19)8-17(10-4-2-1-3-5-10)13(20)14-7-6-11-15-9-21-16-11/h1-5,9H,6-8H2,(H,14,20)(H,18,19).
What are the key properties of 2-[N-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]anilino]acetic acid?
2-[N-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]anilino]acetic acid has a molecular weight of 290.28 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]anilino]acetic acid is sourced from PubChem (CID 106404698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).