4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1,2-oxazol-5-amine

C10H7BrF2N2O2 — CID 117490148

IUPAC4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1c(F)c(Br)cc(-c2cnoc2N)c1F
InChIInChI=1S/C10H7BrF2N2O2/c1-16-9-7(12)4(2-6(11)8(9)13)5-3-15-17-10(5)14/h2-3H,14H2,1H3
InChIKeyNEZMIIWCZDKVCB-UHFFFAOYSA-N
MW305.08 g/mol
LogP2.97
Rot. Bonds2

About 4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1,2-oxazol-5-amine

4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 117490148) has the molecular formula C10H7BrF2N2O2 and a molecular weight of 305.08 g/mol. Its IUPAC name is 4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1,2-oxazol-5-amine
PubChem CID117490148
Molecular FormulaC10H7BrF2N2O2
Molecular Weight305.08 g/mol
Exact Mass303.97
IUPAC Name4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1c(F)c(Br)cc(-c2cnoc2N)c1F
InChIInChI=1S/C10H7BrF2N2O2/c1-16-9-7(12)4(2-6(11)8(9)13)5-3-15-17-10(5)14/h2-3H,14H2,1H3
InChIKeyNEZMIIWCZDKVCB-UHFFFAOYSA-N
XLogP2.97
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.08
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1,2-oxazol-5-amine (CID 117490148) is 4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1,2-oxazol-5-amine is COc1c(F)c(Br)cc(-c2cnoc2N)c1F.
What is the InChIKey of 4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is NEZMIIWCZDKVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF2N2O2/c1-16-9-7(12)4(2-6(11)8(9)13)5-3-15-17-10(5)14/h2-3H,14H2,1H3.
What are the key properties of 4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1,2-oxazol-5-amine?
4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 305.08 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117490148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).