4-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-5-amine

C13H11N3O2 — CID 117354707

IUPAC4-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-5-amine
SMILESCc1coc(-c2ccc(-c3cnoc3N)cc2)n1
InChIInChI=1S/C13H11N3O2/c1-8-7-17-13(16-8)10-4-2-9(3-5-10)11-6-15-18-12(11)14/h2-7H,14H2,1H3
InChIKeyMUIGVGOEVSQMIV-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.89
Rot. Bonds2

About 4-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-5-amine

4-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-5-amine (PubChem CID 117354707) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-5-amine
PubChem CID117354707
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name4-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-5-amine
SMILESCc1coc(-c2ccc(-c3cnoc3N)cc2)n1
InChIInChI=1S/C13H11N3O2/c1-8-7-17-13(16-8)10-4-2-9(3-5-10)11-6-15-18-12(11)14/h2-7H,14H2,1H3
InChIKeyMUIGVGOEVSQMIV-UHFFFAOYSA-N
XLogP2.89
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-tert-butyl-1,3-oxazol-2-yl)-1,2-oxazol-5-amine
CID 105460208
4-(3-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine
CID 117305300
4-(2-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine
CID 117305301
O-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]hydroxylamine
CID 117292521
4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine
CID 117385048
4-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2-oxazol-5-amine
CID 115112198
2-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]propan-2-ol
CID 84682769
4-[4-(1-methoxyethyl)phenyl]-1,2-oxazol-5-amine
CID 117310978
4-[4-(methylsulfonylmethyl)phenyl]-1,2-oxazol-5-amine
CID 117383874
4-[4-(2-methoxypropan-2-yl)phenyl]-1,2-oxazol-5-amine
CID 117336523
1-[1-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopropyl]ethanamine
CID 117358112
5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine
CID 63692248

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-5-amine (CID 117354707) is 4-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-5-amine is Cc1coc(-c2ccc(-c3cnoc3N)cc2)n1.
What is the InChIKey of 4-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is MUIGVGOEVSQMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-8-7-17-13(16-8)10-4-2-9(3-5-10)11-6-15-18-12(11)14/h2-7H,14H2,1H3.
What are the key properties of 4-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-5-amine?
4-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-5-amine has a molecular weight of 241.25 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117354707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).