5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine

C15H13BrN2O3 — CID 106856450

IUPAC5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(C)cc1-c1c(N)noc1-c1ccoc1Br
InChIInChI=1S/C15H13BrN2O3/c1-8-3-4-11(19-2)10(7-8)12-13(21-18-15(12)17)9-5-6-20-14(9)16/h3-7H,1-2H3,(H2,17,18)
InChIKeyAPLZMTRZNBAAFV-UHFFFAOYSA-N
MW349.18 g/mol
LogP4.26
Rot. Bonds3

About 5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine

5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 106856450) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
PubChem CID106856450
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(C)cc1-c1c(N)noc1-c1ccoc1Br
InChIInChI=1S/C15H13BrN2O3/c1-8-3-4-11(19-2)10(7-8)12-13(21-18-15(12)17)9-5-6-20-14(9)16/h3-7H,1-2H3,(H2,17,18)
InChIKeyAPLZMTRZNBAAFV-UHFFFAOYSA-N
XLogP4.26
TPSA74.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine
CID 106854526
5-(3-bromothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
CID 66199541
5-(2-chlorofuran-3-yl)-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 106690651
5-cyclopentyl-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
CID 66200945
4-(2-methoxy-5-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine
CID 66200344
4-(3-methoxy-4-methylphenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 66198425
5-(2-bromofuran-3-yl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
CID 106856445
5-(2-ethoxyethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
CID 66198944
5-(cyclopentylmethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
CID 66198545
5-(2-methylfuran-3-yl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66198480
3-(2-methoxy-5-methylphenyl)-4-methyl-1,2-oxazol-5-amine
CID 62505613
4-bromo-5-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 79557639

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine (CID 106856450) is 5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine is COc1ccc(C)cc1-c1c(N)noc1-c1ccoc1Br.
What is the InChIKey of 5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is APLZMTRZNBAAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-8-3-4-11(19-2)10(7-8)12-13(21-18-15(12)17)9-5-6-20-14(9)16/h3-7H,1-2H3,(H2,17,18).
What are the key properties of 5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine?
5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 349.18 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 106856450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).