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

C11H13N3O — CID 117291729

IUPAC4-[3-(dimethylamino)phenyl]-1,2-oxazol-5-amine
SMILESCN(C)c1cccc(-c2cnoc2N)c1
InChIInChI=1S/C11H13N3O/c1-14(2)9-5-3-4-8(6-9)10-7-13-15-11(10)12/h3-7H,12H2,1-2H3
InChIKeyBMNAMXJBJOHJAJ-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.99
Rot. Bonds2

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

4-[3-(dimethylamino)phenyl]-1,2-oxazol-5-amine (PubChem CID 117291729) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-[3-(dimethylamino)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[3-(dimethylamino)phenyl]-1,2-oxazol-5-amine
PubChem CID117291729
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name4-[3-(dimethylamino)phenyl]-1,2-oxazol-5-amine
SMILESCN(C)c1cccc(-c2cnoc2N)c1
InChIInChI=1S/C11H13N3O/c1-14(2)9-5-3-4-8(6-9)10-7-13-15-11(10)12/h3-7H,12H2,1-2H3
InChIKeyBMNAMXJBJOHJAJ-UHFFFAOYSA-N
XLogP1.99
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[3-(dimethylamino)phenyl]-1,2-oxazol-5-amine (CID 117291729) is 4-[3-(dimethylamino)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[3-(dimethylamino)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[3-(dimethylamino)phenyl]-1,2-oxazol-5-amine is CN(C)c1cccc(-c2cnoc2N)c1.
What is the InChIKey of 4-[3-(dimethylamino)phenyl]-1,2-oxazol-5-amine?
The InChIKey is BMNAMXJBJOHJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-14(2)9-5-3-4-8(6-9)10-7-13-15-11(10)12/h3-7H,12H2,1-2H3.
What are the key properties of 4-[3-(dimethylamino)phenyl]-1,2-oxazol-5-amine?
4-[3-(dimethylamino)phenyl]-1,2-oxazol-5-amine has a molecular weight of 203.24 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117291729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).