(3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl)methanamine

C11H14N2O2 — CID 14601442

IUPAC(3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl)methanamine
SMILESNCC1CC(OCc2ccccc2)=NO1
InChIInChI=1S/C11H14N2O2/c12-7-10-6-11(13-15-10)14-8-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2
InChIKeyNVTKDPWDHZNADC-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.26
Rot. Bonds3

About (3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl)methanamine

(3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl)methanamine (PubChem CID 14601442) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is (3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl)methanamine
PubChem CID14601442
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name(3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl)methanamine
SMILESNCC1CC(OCc2ccccc2)=NO1
InChIInChI=1S/C11H14N2O2/c12-7-10-6-11(13-15-10)14-8-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2
InChIKeyNVTKDPWDHZNADC-UHFFFAOYSA-N
XLogP1.26
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl)methanamine?
The IUPAC name of (3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl)methanamine (CID 14601442) is (3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for (3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for (3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl)methanamine is NCC1CC(OCc2ccccc2)=NO1.
What is the InChIKey of (3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl)methanamine?
The InChIKey is NVTKDPWDHZNADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-7-10-6-11(13-15-10)14-8-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2.
What are the key properties of (3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl)methanamine?
(3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl)methanamine has a molecular weight of 206.25 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 14601442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).