N-[(5-bromothiophen-2-yl)methyl]-1,2-oxazol-3-amine

C8H7BrN2OS — CID 130611411

IUPACN-[(5-bromothiophen-2-yl)methyl]-1,2-oxazol-3-amine
SMILESBrc1ccc(CNc2ccon2)s1
InChIInChI=1S/C8H7BrN2OS/c9-7-2-1-6(13-7)5-10-8-3-4-12-11-8/h1-4H,5H2,(H,10,11)
InChIKeyRCUCTXYKTBTDTC-UHFFFAOYSA-N
MW259.13 g/mol
LogP3.11
Rot. Bonds3

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

N-[(5-bromothiophen-2-yl)methyl]-1,2-oxazol-3-amine (PubChem CID 130611411) has the molecular formula C8H7BrN2OS and a molecular weight of 259.13 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1,2-oxazol-3-amine
PubChem CID130611411
Molecular FormulaC8H7BrN2OS
Molecular Weight259.13 g/mol
Exact Mass257.95
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1,2-oxazol-3-amine
SMILESBrc1ccc(CNc2ccon2)s1
InChIInChI=1S/C8H7BrN2OS/c9-7-2-1-6(13-7)5-10-8-3-4-12-11-8/h1-4H,5H2,(H,10,11)
InChIKeyRCUCTXYKTBTDTC-UHFFFAOYSA-N
XLogP3.11
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]pyrimidin-4-amine
CID 61253580
N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80911739
N-[(5-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine
CID 60808995
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
2-N-[(5-bromothiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 80837433
N-[(5-bromothiophen-2-yl)methyl]-4-methyl-1,3-oxazol-2-amine
CID 130991667
3-[(5-bromothiophen-2-yl)methylamino]pyridine-4-carbonitrile
CID 114287628
N-[(5-bromothiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 113390813
N-[(5-bromothiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 61240171
N-[(5-bromothiophen-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 43682780
6-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carbothioamide
CID 64595487
N-[(5-bromothiophen-2-yl)methyl]-5-iodopyrimidin-4-amine
CID 66343007

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1,2-oxazol-3-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1,2-oxazol-3-amine (CID 130611411) is N-[(5-bromothiophen-2-yl)methyl]-1,2-oxazol-3-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1,2-oxazol-3-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1,2-oxazol-3-amine is Brc1ccc(CNc2ccon2)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1,2-oxazol-3-amine?
The InChIKey is RCUCTXYKTBTDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2OS/c9-7-2-1-6(13-7)5-10-8-3-4-12-11-8/h1-4H,5H2,(H,10,11).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1,2-oxazol-3-amine?
N-[(5-bromothiophen-2-yl)methyl]-1,2-oxazol-3-amine has a molecular weight of 259.13 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 130611411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).