4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide

C11H11BrN4O2 — CID 81383381

IUPAC4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESC[C@@H](NC(=O)c1nonc1N)c1ccccc1Br
InChIInChI=1S/C11H11BrN4O2/c1-6(7-4-2-3-5-8(7)12)14-11(17)9-10(13)16-18-15-9/h2-6H,1H3,(H2,13,16)(H,14,17)/t6-/m1/s1
InChIKeyUSLTZKWJLQZENN-ZCFIWIBFSA-N
MW311.14 g/mol
LogP1.91
Rot. Bonds3

About 4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide

4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 81383381) has the molecular formula C11H11BrN4O2 and a molecular weight of 311.14 g/mol. Its IUPAC name is 4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID81383381
Molecular FormulaC11H11BrN4O2
Molecular Weight311.14 g/mol
Exact Mass310.01
IUPAC Name4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESC[C@@H](NC(=O)c1nonc1N)c1ccccc1Br
InChIInChI=1S/C11H11BrN4O2/c1-6(7-4-2-3-5-8(7)12)14-11(17)9-10(13)16-18-15-9/h2-6H,1H3,(H2,13,16)(H,14,17)/t6-/m1/s1
InChIKeyUSLTZKWJLQZENN-ZCFIWIBFSA-N
XLogP1.91
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 42998507
4-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 81365969
4-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 81364858
4-amino-N-(4-phenylbutan-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 55090938
N-[(1R)-1-(2-bromophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 51857396
3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 81396785
4-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 55027225
(2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-phenylacetic acid
CID 104898540
4-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-1,2,5-oxadiazole-3-carboxamide
CID 94548469
2-amino-4-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]benzamide
CID 81397255
2-amino-N-[1-(2-bromophenyl)ethyl]-5-hydroxybenzamide
CID 107074317
N-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide
CID 42998565

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide (CID 81383381) is 4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide is C[C@@H](NC(=O)c1nonc1N)c1ccccc1Br.
What is the InChIKey of 4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is USLTZKWJLQZENN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H11BrN4O2/c1-6(7-4-2-3-5-8(7)12)14-11(17)9-10(13)16-18-15-9/h2-6H,1H3,(H2,13,16)(H,14,17)/t6-/m1/s1.
What are the key properties of 4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 311.14 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 81383381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).