3-(2-bromofuran-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine

C14H11BrN2O2 — CID 106854737

IUPAC3-(2-bromofuran-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccccc1-c1c(-c2ccoc2Br)noc1N
InChIInChI=1S/C14H11BrN2O2/c1-8-4-2-3-5-9(8)11-12(17-19-14(11)16)10-6-7-18-13(10)15/h2-7H,16H2,1H3
InChIKeyXZYUURILIASWQI-UHFFFAOYSA-N
MW319.16 g/mol
LogP4.25
Rot. Bonds2

About 3-(2-bromofuran-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine

3-(2-bromofuran-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 106854737) has the molecular formula C14H11BrN2O2 and a molecular weight of 319.16 g/mol. Its IUPAC name is 3-(2-bromofuran-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-bromofuran-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
PubChem CID106854737
Molecular FormulaC14H11BrN2O2
Molecular Weight319.16 g/mol
Exact Mass318.00
IUPAC Name3-(2-bromofuran-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccccc1-c1c(-c2ccoc2Br)noc1N
InChIInChI=1S/C14H11BrN2O2/c1-8-4-2-3-5-9(8)11-12(17-19-14(11)16)10-6-7-18-13(10)15/h2-7H,16H2,1H3
InChIKeyXZYUURILIASWQI-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

3-(5-bromo-2-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43157955
3-(2,4-dimethylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335592
3-(2-fluoro-5-methylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 62514498
3-(2,6-dichlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335610
3,4-bis(2-bromophenyl)-1,2-oxazol-5-amine
CID 62830001
3-(4-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43157945
4-(3-bromophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43560913
3-(3-bromo-4-chlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 107988922
4-(2-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine
CID 63080317
3-(2,5-dichlorothiophen-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 107962857
4-(2-methylphenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670744
3-[5-amino-4-(2-methylphenyl)-1,2-oxazol-3-yl]-1H-pyridin-4-one
CID 136812387

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromofuran-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-bromofuran-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine (CID 106854737) is 3-(2-bromofuran-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-bromofuran-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-bromofuran-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine is Cc1ccccc1-c1c(-c2ccoc2Br)noc1N.
What is the InChIKey of 3-(2-bromofuran-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is XZYUURILIASWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2/c1-8-4-2-3-5-9(8)11-12(17-19-14(11)16)10-6-7-18-13(10)15/h2-7H,16H2,1H3.
What are the key properties of 3-(2-bromofuran-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine?
3-(2-bromofuran-3-yl)-4-(2-methylphenyl)-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 3-(2-bromofuran-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 106854737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).