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

C12H9N3O2 — CID 117326354

IUPAC5-[4-(1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccc(-c3ncco3)cc2)on1
InChIInChI=1S/C12H9N3O2/c13-11-7-10(17-15-11)8-1-3-9(4-2-8)12-14-5-6-16-12/h1-7H,(H2,13,15)
InChIKeyROJOBVKBADDLDV-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.58
Rot. Bonds2

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

5-[4-(1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine (PubChem CID 117326354) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 5-[4-(1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[4-(1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine
PubChem CID117326354
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name5-[4-(1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccc(-c3ncco3)cc2)on1
InChIInChI=1S/C12H9N3O2/c13-11-7-10(17-15-11)8-1-3-9(4-2-8)12-14-5-6-16-12/h1-7H,(H2,13,15)
InChIKeyROJOBVKBADDLDV-UHFFFAOYSA-N
XLogP2.58
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-ethoxyphenyl)-1,2-oxazol-3-amine
CID 27242742
5-(4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-amine
CID 145311674
5-[4-(triazol-2-yl)phenyl]-1,2-oxazol-3-amine
CID 117326392
ethane;5-phenyl-1,2-oxazol-3-amine
CID 145311661
5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 82472063
5-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-3-amine
CID 117357259
2-phenyl-1,3-oxazole;zinc
CID 175242530
5-[4-(diethylamino)phenyl]-1,2-oxazol-3-amine
CID 117334620
5-(4-ethylsulfanylphenyl)-1,2-oxazol-3-amine
CID 82472660
5-(1-methoxyisoquinolin-6-yl)-1,2-oxazol-3-amine
CID 117354699
4-[[4-(1,3-oxazol-2-yl)anilino]methyl]aniline
CID 59230255
[4-(3-amino-1,2-oxazol-5-yl)phenyl] carbamate
CID 175331108

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[4-(1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine (CID 117326354) is 5-[4-(1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[4-(1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[4-(1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine is Nc1cc(-c2ccc(-c3ncco3)cc2)on1.
What is the InChIKey of 5-[4-(1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine?
The InChIKey is ROJOBVKBADDLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c13-11-7-10(17-15-11)8-1-3-9(4-2-8)12-14-5-6-16-12/h1-7H,(H2,13,15).
What are the key properties of 5-[4-(1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine?
5-[4-(1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine has a molecular weight of 227.22 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117326354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).