1-(4-bromothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine

C11H13BrN2OS — CID 103096732

IUPAC1-(4-bromothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCCc1cnc(CNCc2cc(Br)cs2)o1
InChIInChI=1S/C11H13BrN2OS/c1-2-9-4-14-11(15-9)6-13-5-10-3-8(12)7-16-10/h3-4,7,13H,2,5-6H2,1H3
InChIKeyLQIJPODQHGNWIH-UHFFFAOYSA-N
MW301.21 g/mol
LogP3.35
Rot. Bonds5

About 1-(4-bromothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine

1-(4-bromothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 103096732) has the molecular formula C11H13BrN2OS and a molecular weight of 301.21 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID103096732
Molecular FormulaC11H13BrN2OS
Molecular Weight301.21 g/mol
Exact Mass299.99
IUPAC Name1-(4-bromothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCCc1cnc(CNCc2cc(Br)cs2)o1
InChIInChI=1S/C11H13BrN2OS/c1-2-9-4-14-11(15-9)6-13-5-10-3-8(12)7-16-10/h3-4,7,13H,2,5-6H2,1H3
InChIKeyLQIJPODQHGNWIH-UHFFFAOYSA-N
XLogP3.35
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine (CID 103096732) is 1-(4-bromothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine is CCc1cnc(CNCc2cc(Br)cs2)o1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is LQIJPODQHGNWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2OS/c1-2-9-4-14-11(15-9)6-13-5-10-3-8(12)7-16-10/h3-4,7,13H,2,5-6H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(4-bromothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 301.21 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 103096732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).