(4-chloro-1,2-oxazol-5-yl)methanamine

C4H5ClN2O — CID 84648177

IUPAC(4-chloro-1,2-oxazol-5-yl)methanamine
SMILESNCc1oncc1Cl
InChIInChI=1S/C4H5ClN2O/c5-3-2-7-8-4(3)1-6/h2H,1,6H2
InChIKeyZUZHMGDITLKQPQ-UHFFFAOYSA-N
MW132.55 g/mol
LogP0.79
Rot. Bonds1

About (4-chloro-1,2-oxazol-5-yl)methanamine

(4-chloro-1,2-oxazol-5-yl)methanamine (PubChem CID 84648177) has the molecular formula C4H5ClN2O and a molecular weight of 132.55 g/mol. Its IUPAC name is (4-chloro-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-1,2-oxazol-5-yl)methanamine
PubChem CID84648177
Molecular FormulaC4H5ClN2O
Molecular Weight132.55 g/mol
Exact Mass132.01
IUPAC Name(4-chloro-1,2-oxazol-5-yl)methanamine
SMILESNCc1oncc1Cl
InChIInChI=1S/C4H5ClN2O/c5-3-2-7-8-4(3)1-6/h2H,1,6H2
InChIKeyZUZHMGDITLKQPQ-UHFFFAOYSA-N
XLogP0.79
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.55
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1,2-oxazol-5-yl)methanamine?
The IUPAC name of (4-chloro-1,2-oxazol-5-yl)methanamine (CID 84648177) is (4-chloro-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for (4-chloro-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for (4-chloro-1,2-oxazol-5-yl)methanamine is NCc1oncc1Cl.
What is the InChIKey of (4-chloro-1,2-oxazol-5-yl)methanamine?
The InChIKey is ZUZHMGDITLKQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2O/c5-3-2-7-8-4(3)1-6/h2H,1,6H2.
What are the key properties of (4-chloro-1,2-oxazol-5-yl)methanamine?
(4-chloro-1,2-oxazol-5-yl)methanamine has a molecular weight of 132.55 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 84648177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).