4-bromo-5-(4-methoxy-3-nitrophenyl)-1,2-oxazol-3-amine

C10H8BrN3O4 — CID 79555784

IUPAC4-bromo-5-(4-methoxy-3-nitrophenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(-c2onc(N)c2Br)cc1[N+](=O)[O-]
InChIInChI=1S/C10H8BrN3O4/c1-17-7-3-2-5(4-6(7)14(15)16)9-8(11)10(12)13-18-9/h2-4H,1H3,(H2,12,13)
InChIKeyNIHOBBBWJYJNEO-UHFFFAOYSA-N
MW314.10 g/mol
LogP2.60
Rot. Bonds3

About 4-bromo-5-(4-methoxy-3-nitrophenyl)-1,2-oxazol-3-amine

4-bromo-5-(4-methoxy-3-nitrophenyl)-1,2-oxazol-3-amine (PubChem CID 79555784) has the molecular formula C10H8BrN3O4 and a molecular weight of 314.10 g/mol. Its IUPAC name is 4-bromo-5-(4-methoxy-3-nitrophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-bromo-5-(4-methoxy-3-nitrophenyl)-1,2-oxazol-3-amine
PubChem CID79555784
Molecular FormulaC10H8BrN3O4
Molecular Weight314.10 g/mol
Exact Mass312.97
IUPAC Name4-bromo-5-(4-methoxy-3-nitrophenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(-c2onc(N)c2Br)cc1[N+](=O)[O-]
InChIInChI=1S/C10H8BrN3O4/c1-17-7-3-2-5(4-6(7)14(15)16)9-8(11)10(12)13-18-9/h2-4H,1H3,(H2,12,13)
InChIKeyNIHOBBBWJYJNEO-UHFFFAOYSA-N
XLogP2.60
TPSA104.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.10
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-5-(4-nitrophenyl)-1,2-oxazol-3-amine
CID 79555607
3-(4-methoxy-3-nitrophenyl)-5-methyl-1,2,4-oxadiazole
CID 616601
[3-(4-methoxy-3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82358630
5-(4-methoxy-3-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 2183720
4-bromo-3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole
CID 19585869
5-(4-methoxynaphthalen-1-yl)-4-(4-methoxy-3-nitrophenyl)-1,2-oxazole
CID 150184230
4-bromo-5-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 79557639
4-(4-methoxy-3-nitrophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 78909383
4-bromo-5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 79555964
4-methoxy-3-nitrobenzaldehyde
CID 700608
5-(4-chloro-3-nitrophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 8895254
4-bromo-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine
CID 79555953

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(4-methoxy-3-nitrophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-bromo-5-(4-methoxy-3-nitrophenyl)-1,2-oxazol-3-amine (CID 79555784) is 4-bromo-5-(4-methoxy-3-nitrophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-bromo-5-(4-methoxy-3-nitrophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-bromo-5-(4-methoxy-3-nitrophenyl)-1,2-oxazol-3-amine is COc1ccc(-c2onc(N)c2Br)cc1[N+](=O)[O-].
What is the InChIKey of 4-bromo-5-(4-methoxy-3-nitrophenyl)-1,2-oxazol-3-amine?
The InChIKey is NIHOBBBWJYJNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O4/c1-17-7-3-2-5(4-6(7)14(15)16)9-8(11)10(12)13-18-9/h2-4H,1H3,(H2,12,13).
What are the key properties of 4-bromo-5-(4-methoxy-3-nitrophenyl)-1,2-oxazol-3-amine?
4-bromo-5-(4-methoxy-3-nitrophenyl)-1,2-oxazol-3-amine has a molecular weight of 314.10 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(4-methoxy-3-nitrophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 79555784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).