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

C13H17N3O — CID 117334620

IUPAC5-[4-(diethylamino)phenyl]-1,2-oxazol-3-amine
SMILESCCN(CC)c1ccc(-c2cc(N)no2)cc1
InChIInChI=1S/C13H17N3O/c1-3-16(4-2)11-7-5-10(6-8-11)12-9-13(14)15-17-12/h5-9H,3-4H2,1-2H3,(H2,14,15)
InChIKeyBHAKNOJXPHMGNS-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.77
Rot. Bonds4

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

5-[4-(diethylamino)phenyl]-1,2-oxazol-3-amine (PubChem CID 117334620) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-[4-(diethylamino)phenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[4-(diethylamino)phenyl]-1,2-oxazol-3-amine
PubChem CID117334620
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name5-[4-(diethylamino)phenyl]-1,2-oxazol-3-amine
SMILESCCN(CC)c1ccc(-c2cc(N)no2)cc1
InChIInChI=1S/C13H17N3O/c1-3-16(4-2)11-7-5-10(6-8-11)12-9-13(14)15-17-12/h5-9H,3-4H2,1-2H3,(H2,14,15)
InChIKeyBHAKNOJXPHMGNS-UHFFFAOYSA-N
XLogP2.77
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(diethylamino)phenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[4-(diethylamino)phenyl]-1,2-oxazol-3-amine (CID 117334620) is 5-[4-(diethylamino)phenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[4-(diethylamino)phenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[4-(diethylamino)phenyl]-1,2-oxazol-3-amine is CCN(CC)c1ccc(-c2cc(N)no2)cc1.
What is the InChIKey of 5-[4-(diethylamino)phenyl]-1,2-oxazol-3-amine?
The InChIKey is BHAKNOJXPHMGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-16(4-2)11-7-5-10(6-8-11)12-9-13(14)15-17-12/h5-9H,3-4H2,1-2H3,(H2,14,15).
What are the key properties of 5-[4-(diethylamino)phenyl]-1,2-oxazol-3-amine?
5-[4-(diethylamino)phenyl]-1,2-oxazol-3-amine has a molecular weight of 231.30 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(diethylamino)phenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117334620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).