ethyl 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]propanoate

C14H16BrN3O3 — CID 61499088

IUPACethyl 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]propanoate
SMILESCCOC(=O)C(C)NCc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C14H16BrN3O3/c1-3-20-14(19)9(2)16-8-12-17-18-13(21-12)10-6-4-5-7-11(10)15/h4-7,9,16H,3,8H2,1-2H3
InChIKeyUSUWQCJLCIDWIW-UHFFFAOYSA-N
MW354.20 g/mol
LogP2.54
Rot. Bonds6

About ethyl 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]propanoate

ethyl 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]propanoate (PubChem CID 61499088) has the molecular formula C14H16BrN3O3 and a molecular weight of 354.20 g/mol. Its IUPAC name is ethyl 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]propanoate
PubChem CID61499088
Molecular FormulaC14H16BrN3O3
Molecular Weight354.20 g/mol
Exact Mass353.04
IUPAC Nameethyl 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]propanoate
SMILESCCOC(=O)C(C)NCc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C14H16BrN3O3/c1-3-20-14(19)9(2)16-8-12-17-18-13(21-12)10-6-4-5-7-11(10)15/h4-7,9,16H,3,8H2,1-2H3
InChIKeyUSUWQCJLCIDWIW-UHFFFAOYSA-N
XLogP2.54
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]propanoate with MolForge

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Related Compounds

1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentan-2-ol
CID 106292907
1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylbutan-2-ol
CID 65106277
[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl (3R)-3-phenylbutanoate
CID 7265880
[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl benzoate
CID 2516937
ethyl N-[2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]carbamate
CID 3957367
1-[3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
CID 99624007
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(oxan-4-yl)methanamine
CID 63711321
(1S)-N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-yl)-1-phenylmethanamine
CID 8755144
ethyl 2-[(2-ethylphenyl)methylamino]propanoate
CID 62391416
[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-ethyl-4-methylthiophene-2-carboxylate
CID 7972831
[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(diethylamino)benzoate
CID 2514905
ethyl 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 30835186

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]propanoate?
The IUPAC name of ethyl 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]propanoate (CID 61499088) is ethyl 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]propanoate.
What is the SMILES notation for ethyl 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]propanoate?
The canonical SMILES for ethyl 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]propanoate is CCOC(=O)C(C)NCc1nnc(-c2ccccc2Br)o1.
What is the InChIKey of ethyl 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]propanoate?
The InChIKey is USUWQCJLCIDWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O3/c1-3-20-14(19)9(2)16-8-12-17-18-13(21-12)10-6-4-5-7-11(10)15/h4-7,9,16H,3,8H2,1-2H3.
What are the key properties of ethyl 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]propanoate?
ethyl 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]propanoate has a molecular weight of 354.20 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]propanoate is sourced from PubChem (CID 61499088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).