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

C10H8BrN3O3 — CID 82363345

IUPAC2-amino-2-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]acetic acid
SMILESNC(C(=O)O)c1nnc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C10H8BrN3O3/c11-6-3-1-5(2-4-6)8-13-14-9(17-8)7(12)10(15)16/h1-4,7H,12H2,(H,15,16)
InChIKeyMQQROCIHQFKPNL-UHFFFAOYSA-N
MW298.10 g/mol
LogP1.58
Rot. Bonds3

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

2-amino-2-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]acetic acid (PubChem CID 82363345) has the molecular formula C10H8BrN3O3 and a molecular weight of 298.10 g/mol. Its IUPAC name is 2-amino-2-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]acetic acid
PubChem CID82363345
Molecular FormulaC10H8BrN3O3
Molecular Weight298.10 g/mol
Exact Mass296.97
IUPAC Name2-amino-2-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]acetic acid
SMILESNC(C(=O)O)c1nnc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C10H8BrN3O3/c11-6-3-1-5(2-4-6)8-13-14-9(17-8)7(12)10(15)16/h1-4,7H,12H2,(H,15,16)
InChIKeyMQQROCIHQFKPNL-UHFFFAOYSA-N
XLogP1.58
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 82363348
(4S)-4-amino-4-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 175913468
2-amino-2-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 82363363
2-(4-bromophenyl)-5-pentan-3-yl-1,3,4-oxadiazole
CID 71062822
3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropanoic acid
CID 82135343
2-amino-2-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 82363351
2-amino-2-[6-(4-bromophenyl)-3-pyridinyl]acetic acid;hydrochloride
CID 24730356
4-bromo-N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821866
[2-(4-bromophenyl)-2-oxoethyl] 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 1277161
4-[5-(1-cyclopropylethyl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 83150735
2-amino-2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]acetic acid
CID 104527137
[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 3-bromobenzoate
CID 9416207

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]acetic acid?
The IUPAC name of 2-amino-2-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]acetic acid (CID 82363345) is 2-amino-2-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]acetic acid?
The canonical SMILES for 2-amino-2-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]acetic acid is NC(C(=O)O)c1nnc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 2-amino-2-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]acetic acid?
The InChIKey is MQQROCIHQFKPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O3/c11-6-3-1-5(2-4-6)8-13-14-9(17-8)7(12)10(15)16/h1-4,7H,12H2,(H,15,16).
What are the key properties of 2-amino-2-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]acetic acid?
2-amino-2-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]acetic acid has a molecular weight of 298.10 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]acetic acid is sourced from PubChem (CID 82363345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).