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

C15H13BrN2O2S — CID 66199541

IUPAC5-(3-bromothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(C)cc1-c1c(N)noc1-c1sccc1Br
InChIInChI=1S/C15H13BrN2O2S/c1-8-3-4-11(19-2)9(7-8)12-13(20-18-15(12)17)14-10(16)5-6-21-14/h3-7H,1-2H3,(H2,17,18)
InChIKeyBUQXALHUSQSICK-UHFFFAOYSA-N
MW365.25 g/mol
LogP4.73
Rot. Bonds3

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

5-(3-bromothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 66199541) has the molecular formula C15H13BrN2O2S and a molecular weight of 365.25 g/mol. Its IUPAC name is 5-(3-bromothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-bromothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
PubChem CID66199541
Molecular FormulaC15H13BrN2O2S
Molecular Weight365.25 g/mol
Exact Mass363.99
IUPAC Name5-(3-bromothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(C)cc1-c1c(N)noc1-c1sccc1Br
InChIInChI=1S/C15H13BrN2O2S/c1-8-3-4-11(19-2)9(7-8)12-13(20-18-15(12)17)14-10(16)5-6-21-14/h3-7H,1-2H3,(H2,17,18)
InChIKeyBUQXALHUSQSICK-UHFFFAOYSA-N
XLogP4.73
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-bromothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine (CID 66199541) is 5-(3-bromothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-bromothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-bromothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine is COc1ccc(C)cc1-c1c(N)noc1-c1sccc1Br.
What is the InChIKey of 5-(3-bromothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is BUQXALHUSQSICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2S/c1-8-3-4-11(19-2)9(7-8)12-13(20-18-15(12)17)14-10(16)5-6-21-14/h3-7H,1-2H3,(H2,17,18).
What are the key properties of 5-(3-bromothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine?
5-(3-bromothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 365.25 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66199541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).