ethyl 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]acetate

C12H13N3O3 — CID 4126918

IUPACethyl 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(-c2ccccc2)no1
InChIInChI=1S/C12H13N3O3/c1-2-17-10(16)8-13-12-14-11(15-18-12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,14,15)
InChIKeyBXBCGHLOGWWDSB-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.71
Rot. Bonds5

About ethyl 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]acetate

ethyl 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]acetate (PubChem CID 4126918) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is ethyl 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]acetate
PubChem CID4126918
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Nameethyl 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(-c2ccccc2)no1
InChIInChI=1S/C12H13N3O3/c1-2-17-10(16)8-13-12-14-11(15-18-12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,14,15)
InChIKeyBXBCGHLOGWWDSB-UHFFFAOYSA-N
XLogP1.71
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-pentyl-3-phenyl-1,2,4-oxadiazol-5-amine
CID 122215897
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol
CID 121222906
N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine
CID 46342000
2-[3-[[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenoxy]acetic acid
CID 167809685
ethyl 2-[(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 808590
ethyl 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate
CID 20881451
ethyl 2-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 808619
2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid
CID 7017713
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 31142462
ethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474663
ethyl 2-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474427
ethyl 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate
CID 20881472

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]acetate?
The IUPAC name of ethyl 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]acetate (CID 4126918) is ethyl 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]acetate is CCOC(=O)CNc1nc(-c2ccccc2)no1.
What is the InChIKey of ethyl 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]acetate?
The InChIKey is BXBCGHLOGWWDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-2-17-10(16)8-13-12-14-11(15-18-12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,14,15).
What are the key properties of ethyl 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]acetate?
ethyl 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]acetate has a molecular weight of 247.25 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]acetate is sourced from PubChem (CID 4126918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).