N-(2-amino-4,6-dibromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

C12H11Br2N3O3 — CID 66158095

IUPACN-(2-amino-4,6-dibromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)Nc2c(N)cc(Br)cc2Br)no1
InChIInChI=1S/C12H11Br2N3O3/c1-19-5-7-4-10(17-20-7)12(18)16-11-8(14)2-6(13)3-9(11)15/h2-4H,5,15H2,1H3,(H,16,18)
InChIKeyNEDCQBJHXGAXJB-UHFFFAOYSA-N
MW405.05 g/mol
LogP3.18
Rot. Bonds4

About N-(2-amino-4,6-dibromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

N-(2-amino-4,6-dibromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 66158095) has the molecular formula C12H11Br2N3O3 and a molecular weight of 405.05 g/mol. Its IUPAC name is N-(2-amino-4,6-dibromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dibromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID66158095
Molecular FormulaC12H11Br2N3O3
Molecular Weight405.05 g/mol
Exact Mass402.92
IUPAC NameN-(2-amino-4,6-dibromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)Nc2c(N)cc(Br)cc2Br)no1
InChIInChI=1S/C12H11Br2N3O3/c1-19-5-7-4-10(17-20-7)12(18)16-11-8(14)2-6(13)3-9(11)15/h2-4H,5,15H2,1H3,(H,16,18)
InChIKeyNEDCQBJHXGAXJB-UHFFFAOYSA-N
XLogP3.18
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.05
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66158532
N-(2-amino-4,6-dibromophenyl)-2-methoxyacetamide
CID 61277769
N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199792
methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate
CID 13371025
3-chloro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]benzoic acid
CID 107047018
methyl 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoate
CID 66156389
N-(3-bromo-2,2-dimethylpropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 115364910
3-(4-bromophenyl)-3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
CID 119188760
N-[(2S)-1-aminopropan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 120505183
N-(2-cyano-6-methoxyphenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 107468124
N-(2-amino-4,6-dibromophenyl)-4-hydroxy-2-methylbenzamide
CID 107670590
N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide
CID 62874469

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dibromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-amino-4,6-dibromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (CID 66158095) is N-(2-amino-4,6-dibromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-4,6-dibromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-amino-4,6-dibromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)Nc2c(N)cc(Br)cc2Br)no1.
What is the InChIKey of N-(2-amino-4,6-dibromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is NEDCQBJHXGAXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3O3/c1-19-5-7-4-10(17-20-7)12(18)16-11-8(14)2-6(13)3-9(11)15/h2-4H,5,15H2,1H3,(H,16,18).
What are the key properties of N-(2-amino-4,6-dibromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
N-(2-amino-4,6-dibromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 405.05 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dibromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 66158095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).