(3-ethenyl-1,2-oxazol-5-yl)methanamine

C6H8N2O — CID 144675059

IUPAC(3-ethenyl-1,2-oxazol-5-yl)methanamine
SMILESC=Cc1cc(CN)on1
InChIInChI=1S/C6H8N2O/c1-2-5-3-6(4-7)9-8-5/h2-3H,1,4,7H2
InChIKeyPWHIADNHAAEHGC-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.78
Rot. Bonds2

About (3-ethenyl-1,2-oxazol-5-yl)methanamine

(3-ethenyl-1,2-oxazol-5-yl)methanamine (PubChem CID 144675059) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is (3-ethenyl-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-ethenyl-1,2-oxazol-5-yl)methanamine
PubChem CID144675059
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name(3-ethenyl-1,2-oxazol-5-yl)methanamine
SMILESC=Cc1cc(CN)on1
InChIInChI=1S/C6H8N2O/c1-2-5-3-6(4-7)9-8-5/h2-3H,1,4,7H2
InChIKeyPWHIADNHAAEHGC-UHFFFAOYSA-N
XLogP0.78
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethenyl-1,2-oxazol-5-yl)methanamine?
The IUPAC name of (3-ethenyl-1,2-oxazol-5-yl)methanamine (CID 144675059) is (3-ethenyl-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for (3-ethenyl-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for (3-ethenyl-1,2-oxazol-5-yl)methanamine is C=Cc1cc(CN)on1.
What is the InChIKey of (3-ethenyl-1,2-oxazol-5-yl)methanamine?
The InChIKey is PWHIADNHAAEHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-2-5-3-6(4-7)9-8-5/h2-3H,1,4,7H2.
What are the key properties of (3-ethenyl-1,2-oxazol-5-yl)methanamine?
(3-ethenyl-1,2-oxazol-5-yl)methanamine has a molecular weight of 124.14 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethenyl-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 144675059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).