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

C14H11BrN2O2 — CID 43158081

IUPAC4-(4-bromophenyl)-3-(5-methylfuran-2-yl)-1,2-oxazol-5-amine
SMILESCc1ccc(-c2noc(N)c2-c2ccc(Br)cc2)o1
InChIInChI=1S/C14H11BrN2O2/c1-8-2-7-11(18-8)13-12(14(16)19-17-13)9-3-5-10(15)6-4-9/h2-7H,16H2,1H3
InChIKeyYMHDZOVWAOMZAS-UHFFFAOYSA-N
MW319.16 g/mol
LogP4.25
Rot. Bonds2

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

4-(4-bromophenyl)-3-(5-methylfuran-2-yl)-1,2-oxazol-5-amine (PubChem CID 43158081) has the molecular formula C14H11BrN2O2 and a molecular weight of 319.16 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-(5-methylfuran-2-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-(5-methylfuran-2-yl)-1,2-oxazol-5-amine
PubChem CID43158081
Molecular FormulaC14H11BrN2O2
Molecular Weight319.16 g/mol
Exact Mass318.00
IUPAC Name4-(4-bromophenyl)-3-(5-methylfuran-2-yl)-1,2-oxazol-5-amine
SMILESCc1ccc(-c2noc(N)c2-c2ccc(Br)cc2)o1
InChIInChI=1S/C14H11BrN2O2/c1-8-2-7-11(18-8)13-12(14(16)19-17-13)9-3-5-10(15)6-4-9/h2-7H,16H2,1H3
InChIKeyYMHDZOVWAOMZAS-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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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-(5-methylfuran-2-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(4-bromophenyl)-3-(5-methylfuran-2-yl)-1,2-oxazol-5-amine (CID 43158081) is 4-(4-bromophenyl)-3-(5-methylfuran-2-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(4-bromophenyl)-3-(5-methylfuran-2-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(4-bromophenyl)-3-(5-methylfuran-2-yl)-1,2-oxazol-5-amine is Cc1ccc(-c2noc(N)c2-c2ccc(Br)cc2)o1.
What is the InChIKey of 4-(4-bromophenyl)-3-(5-methylfuran-2-yl)-1,2-oxazol-5-amine?
The InChIKey is YMHDZOVWAOMZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2/c1-8-2-7-11(18-8)13-12(14(16)19-17-13)9-3-5-10(15)6-4-9/h2-7H,16H2,1H3.
What are the key properties of 4-(4-bromophenyl)-3-(5-methylfuran-2-yl)-1,2-oxazol-5-amine?
4-(4-bromophenyl)-3-(5-methylfuran-2-yl)-1,2-oxazol-5-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-(4-bromophenyl)-3-(5-methylfuran-2-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43158081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).