4-(3-bromophenyl)-5-(5-methylfuran-3-yl)-1,2-oxazol-3-amine

C14H11BrN2O2 — CID 114823944

IUPAC4-(3-bromophenyl)-5-(5-methylfuran-3-yl)-1,2-oxazol-3-amine
SMILESCc1cc(-c2onc(N)c2-c2cccc(Br)c2)co1
InChIInChI=1S/C14H11BrN2O2/c1-8-5-10(7-18-8)13-12(14(16)17-19-13)9-3-2-4-11(15)6-9/h2-7H,1H3,(H2,16,17)
InChIKeyVWSBDSNXXDFZJK-UHFFFAOYSA-N
MW319.16 g/mol
LogP4.25
Rot. Bonds2

About 4-(3-bromophenyl)-5-(5-methylfuran-3-yl)-1,2-oxazol-3-amine

4-(3-bromophenyl)-5-(5-methylfuran-3-yl)-1,2-oxazol-3-amine (PubChem CID 114823944) has the molecular formula C14H11BrN2O2 and a molecular weight of 319.16 g/mol. Its IUPAC name is 4-(3-bromophenyl)-5-(5-methylfuran-3-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-5-(5-methylfuran-3-yl)-1,2-oxazol-3-amine
PubChem CID114823944
Molecular FormulaC14H11BrN2O2
Molecular Weight319.16 g/mol
Exact Mass318.00
IUPAC Name4-(3-bromophenyl)-5-(5-methylfuran-3-yl)-1,2-oxazol-3-amine
SMILESCc1cc(-c2onc(N)c2-c2cccc(Br)c2)co1
InChIInChI=1S/C14H11BrN2O2/c1-8-5-10(7-18-8)13-12(14(16)17-19-13)9-3-2-4-11(15)6-9/h2-7H,1H3,(H2,16,17)
InChIKeyVWSBDSNXXDFZJK-UHFFFAOYSA-N
XLogP4.25
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-bromophenyl)-5-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66199849
4-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66199043
5-(3-bromophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80524140
4-(3-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1,2-oxazol-3-amine
CID 66200850
4-(3-bromophenyl)-5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-amine
CID 66198052
4-(3-bromophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198644
4-(3-methylphenyl)-5-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66197888
5-(3,5-dimethylphenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66198077
4-(3-bromophenyl)-5-(3-methoxy-4-pyridinyl)-1,2-oxazol-3-amine
CID 105064768
5-(4-bromophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66199070
4-(4-bromophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine
CID 66199515
4-(4-bromophenyl)-5-(3-iodophenyl)-1,2-oxazol-3-amine
CID 66200724

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-5-(5-methylfuran-3-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(3-bromophenyl)-5-(5-methylfuran-3-yl)-1,2-oxazol-3-amine (CID 114823944) is 4-(3-bromophenyl)-5-(5-methylfuran-3-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3-bromophenyl)-5-(5-methylfuran-3-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3-bromophenyl)-5-(5-methylfuran-3-yl)-1,2-oxazol-3-amine is Cc1cc(-c2onc(N)c2-c2cccc(Br)c2)co1.
What is the InChIKey of 4-(3-bromophenyl)-5-(5-methylfuran-3-yl)-1,2-oxazol-3-amine?
The InChIKey is VWSBDSNXXDFZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2/c1-8-5-10(7-18-8)13-12(14(16)17-19-13)9-3-2-4-11(15)6-9/h2-7H,1H3,(H2,16,17).
What are the key properties of 4-(3-bromophenyl)-5-(5-methylfuran-3-yl)-1,2-oxazol-3-amine?
4-(3-bromophenyl)-5-(5-methylfuran-3-yl)-1,2-oxazol-3-amine has a molecular weight of 319.16 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-5-(5-methylfuran-3-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 114823944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).