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

C8H7BrN2OS — CID 82132577

IUPAC[4-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]methanamine
SMILESNCc1ocnc1-c1ccc(Br)s1
InChIInChI=1S/C8H7BrN2OS/c9-7-2-1-6(13-7)8-5(3-10)12-4-11-8/h1-2,4H,3,10H2
InChIKeyNFLGJKIMMMAZAL-UHFFFAOYSA-N
MW259.13 g/mol
LogP2.62
Rot. Bonds2

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

[4-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]methanamine (PubChem CID 82132577) has the molecular formula C8H7BrN2OS and a molecular weight of 259.13 g/mol. Its IUPAC name is [4-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]methanamine
PubChem CID82132577
Molecular FormulaC8H7BrN2OS
Molecular Weight259.13 g/mol
Exact Mass257.95
IUPAC Name[4-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]methanamine
SMILESNCc1ocnc1-c1ccc(Br)s1
InChIInChI=1S/C8H7BrN2OS/c9-7-2-1-6(13-7)8-5(3-10)12-4-11-8/h1-2,4H,3,10H2
InChIKeyNFLGJKIMMMAZAL-UHFFFAOYSA-N
XLogP2.62
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]methanamine?
The IUPAC name of [4-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]methanamine (CID 82132577) is [4-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]methanamine.
What is the SMILES notation for [4-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]methanamine?
The canonical SMILES for [4-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]methanamine is NCc1ocnc1-c1ccc(Br)s1.
What is the InChIKey of [4-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]methanamine?
The InChIKey is NFLGJKIMMMAZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2OS/c9-7-2-1-6(13-7)8-5(3-10)12-4-11-8/h1-2,4H,3,10H2.
What are the key properties of [4-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]methanamine?
[4-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]methanamine has a molecular weight of 259.13 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]methanamine is sourced from PubChem (CID 82132577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).