7-bromo-2-(furan-2-yl)-5-propan-2-yl-1,3-benzoxazole

C14H12BrNO2 — CID 82095609

IUPAC7-bromo-2-(furan-2-yl)-5-propan-2-yl-1,3-benzoxazole
SMILESCC(C)c1cc(Br)c2oc(-c3ccco3)nc2c1
InChIInChI=1S/C14H12BrNO2/c1-8(2)9-6-10(15)13-11(7-9)16-14(18-13)12-4-3-5-17-12/h3-8H,1-2H3
InChIKeySDZRRNMUCPUELL-UHFFFAOYSA-N
MW306.16 g/mol
LogP4.97
Rot. Bonds2

About 7-bromo-2-(furan-2-yl)-5-propan-2-yl-1,3-benzoxazole

7-bromo-2-(furan-2-yl)-5-propan-2-yl-1,3-benzoxazole (PubChem CID 82095609) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 7-bromo-2-(furan-2-yl)-5-propan-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name7-bromo-2-(furan-2-yl)-5-propan-2-yl-1,3-benzoxazole
PubChem CID82095609
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name7-bromo-2-(furan-2-yl)-5-propan-2-yl-1,3-benzoxazole
SMILESCC(C)c1cc(Br)c2oc(-c3ccco3)nc2c1
InChIInChI=1S/C14H12BrNO2/c1-8(2)9-6-10(15)13-11(7-9)16-14(18-13)12-4-3-5-17-12/h3-8H,1-2H3
InChIKeySDZRRNMUCPUELL-UHFFFAOYSA-N
XLogP4.97
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-5-fluoro-2-(furan-2-yl)-1,3-benzoxazole
CID 82095537
7-bromo-N-methyl-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 82233441
2-(2-bromo-4-propan-2-ylphenyl)furan
CID 168524611
1-(7-bromo-5-propan-2-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine
CID 82233706
7-bromo-2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1,3-benzoxazole
CID 95910570
2-(furan-2-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde
CID 82396986
2-(furan-2-yl)-1,3-benzoxazol-6-amine
CID 43117917
5-propan-2-yl-2-thiophen-2-yl-1,3-benzoxazol-7-amine
CID 82095460
7-bromo-5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole
CID 50849295
7-bromo-5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 51983742
4-bromo-2-propan-2-yldibenzofuran
CID 166912960
5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 94069279

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(furan-2-yl)-5-propan-2-yl-1,3-benzoxazole?
The IUPAC name of 7-bromo-2-(furan-2-yl)-5-propan-2-yl-1,3-benzoxazole (CID 82095609) is 7-bromo-2-(furan-2-yl)-5-propan-2-yl-1,3-benzoxazole.
What is the SMILES notation for 7-bromo-2-(furan-2-yl)-5-propan-2-yl-1,3-benzoxazole?
The canonical SMILES for 7-bromo-2-(furan-2-yl)-5-propan-2-yl-1,3-benzoxazole is CC(C)c1cc(Br)c2oc(-c3ccco3)nc2c1.
What is the InChIKey of 7-bromo-2-(furan-2-yl)-5-propan-2-yl-1,3-benzoxazole?
The InChIKey is SDZRRNMUCPUELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-8(2)9-6-10(15)13-11(7-9)16-14(18-13)12-4-3-5-17-12/h3-8H,1-2H3.
What are the key properties of 7-bromo-2-(furan-2-yl)-5-propan-2-yl-1,3-benzoxazole?
7-bromo-2-(furan-2-yl)-5-propan-2-yl-1,3-benzoxazole has a molecular weight of 306.16 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(furan-2-yl)-5-propan-2-yl-1,3-benzoxazole is sourced from PubChem (CID 82095609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).