4-(3-bromophenyl)-5-(3-methoxy-4-pyridinyl)-1,2-oxazol-3-amine

C15H12BrN3O2 — CID 105064768

IUPAC4-(3-bromophenyl)-5-(3-methoxy-4-pyridinyl)-1,2-oxazol-3-amine
SMILESCOc1cnccc1-c1onc(N)c1-c1cccc(Br)c1
InChIInChI=1S/C15H12BrN3O2/c1-20-12-8-18-6-5-11(12)14-13(15(17)19-21-14)9-3-2-4-10(16)7-9/h2-8H,1H3,(H2,17,19)
InChIKeyYJBRTUBPFSNHIN-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.76
Rot. Bonds3

About 4-(3-bromophenyl)-5-(3-methoxy-4-pyridinyl)-1,2-oxazol-3-amine

4-(3-bromophenyl)-5-(3-methoxy-4-pyridinyl)-1,2-oxazol-3-amine (PubChem CID 105064768) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is 4-(3-bromophenyl)-5-(3-methoxy-4-pyridinyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-5-(3-methoxy-4-pyridinyl)-1,2-oxazol-3-amine
PubChem CID105064768
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC Name4-(3-bromophenyl)-5-(3-methoxy-4-pyridinyl)-1,2-oxazol-3-amine
SMILESCOc1cnccc1-c1onc(N)c1-c1cccc(Br)c1
InChIInChI=1S/C15H12BrN3O2/c1-20-12-8-18-6-5-11(12)14-13(15(17)19-21-14)9-3-2-4-10(16)7-9/h2-8H,1H3,(H2,17,19)
InChIKeyYJBRTUBPFSNHIN-UHFFFAOYSA-N
XLogP3.76
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-bromo-2-methoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 115370350
5-(3-bromophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80524140
4-(3-bromophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198644
5-(5-chloro-2-methoxyphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80522616
5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 115370348
4-(3-bromophenyl)-5-(5-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 114823944
4-(2-methoxyphenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine
CID 66198370
4-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66199043
4-(3-bromophenyl)-5-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66199849
5-(2,4-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 107954873
4-(3-bromophenyl)-5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-amine
CID 66198052
4-(3-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1,2-oxazol-3-amine
CID 66200850

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-5-(3-methoxy-4-pyridinyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(3-bromophenyl)-5-(3-methoxy-4-pyridinyl)-1,2-oxazol-3-amine (CID 105064768) is 4-(3-bromophenyl)-5-(3-methoxy-4-pyridinyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3-bromophenyl)-5-(3-methoxy-4-pyridinyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3-bromophenyl)-5-(3-methoxy-4-pyridinyl)-1,2-oxazol-3-amine is COc1cnccc1-c1onc(N)c1-c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-5-(3-methoxy-4-pyridinyl)-1,2-oxazol-3-amine?
The InChIKey is YJBRTUBPFSNHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c1-20-12-8-18-6-5-11(12)14-13(15(17)19-21-14)9-3-2-4-10(16)7-9/h2-8H,1H3,(H2,17,19).
What are the key properties of 4-(3-bromophenyl)-5-(3-methoxy-4-pyridinyl)-1,2-oxazol-3-amine?
4-(3-bromophenyl)-5-(3-methoxy-4-pyridinyl)-1,2-oxazol-3-amine has a molecular weight of 346.18 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-5-(3-methoxy-4-pyridinyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 105064768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).