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

C12H8BrN3OS — CID 107962951

IUPAC3-(5-bromothiophen-3-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2csc(Br)c2)c1-c1ccncc1
InChIInChI=1S/C12H8BrN3OS/c13-9-5-8(6-18-9)11-10(12(14)17-16-11)7-1-3-15-4-2-7/h1-6H,14H2
InChIKeyXWLXKLZAPSFOHU-UHFFFAOYSA-N
MW322.19 g/mol
LogP3.81
Rot. Bonds2

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

3-(5-bromothiophen-3-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine (PubChem CID 107962951) has the molecular formula C12H8BrN3OS and a molecular weight of 322.19 g/mol. Its IUPAC name is 3-(5-bromothiophen-3-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-3-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine
PubChem CID107962951
Molecular FormulaC12H8BrN3OS
Molecular Weight322.19 g/mol
Exact Mass320.96
IUPAC Name3-(5-bromothiophen-3-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2csc(Br)c2)c1-c1ccncc1
InChIInChI=1S/C12H8BrN3OS/c13-9-5-8(6-18-9)11-10(12(14)17-16-11)7-1-3-15-4-2-7/h1-6H,14H2
InChIKeyXWLXKLZAPSFOHU-UHFFFAOYSA-N
XLogP3.81
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 107972794
4-pyridin-4-yl-3-thiophen-3-yl-1,2-oxazol-5-amine
CID 80525022
3-(4-phenylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 69006280
3-(5-fluoro-3-pyridinyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 104786026
3-pyridin-4-yl-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62500884
3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 57417818
3-[3-(aminomethyl)-4-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 150892773
3-(5-ethylfuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 80524773
3-(1-methylimidazol-4-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 114022695
3-(5-ethylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 80525019
4-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-amine
CID 69060257
3-(4-chloro-2,5-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 82772621

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-3-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-bromothiophen-3-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine (CID 107962951) is 3-(5-bromothiophen-3-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-bromothiophen-3-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-bromothiophen-3-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine is Nc1onc(-c2csc(Br)c2)c1-c1ccncc1.
What is the InChIKey of 3-(5-bromothiophen-3-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The InChIKey is XWLXKLZAPSFOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3OS/c13-9-5-8(6-18-9)11-10(12(14)17-16-11)7-1-3-15-4-2-7/h1-6H,14H2.
What are the key properties of 3-(5-bromothiophen-3-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
3-(5-bromothiophen-3-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine has a molecular weight of 322.19 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-3-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 107962951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).