4-[(4-chlorophenyl)methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine

C11H13ClN2O2 — CID 68714803

IUPAC4-[(4-chlorophenyl)methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(COCc2ccc(Cl)cc2)CO1
InChIInChI=1S/C11H13ClN2O2/c12-9-3-1-8(2-4-9)5-15-6-10-7-16-11(13)14-10/h1-4,10H,5-7H2,(H2,13,14)
InChIKeyBSTOTBNMBGERBO-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.57
Rot. Bonds4

About 4-[(4-chlorophenyl)methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine

4-[(4-chlorophenyl)methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 68714803) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID68714803
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name4-[(4-chlorophenyl)methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(COCc2ccc(Cl)cc2)CO1
InChIInChI=1S/C11H13ClN2O2/c12-9-3-1-8(2-4-9)5-15-6-10-7-16-11(13)14-10/h1-4,10H,5-7H2,(H2,13,14)
InChIKeyBSTOTBNMBGERBO-UHFFFAOYSA-N
XLogP1.57
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-[(4-chlorophenyl)methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 68714803) is 4-[(4-chlorophenyl)methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-[(4-chlorophenyl)methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine is NC1=NC(COCc2ccc(Cl)cc2)CO1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is BSTOTBNMBGERBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-9-3-1-8(2-4-9)5-15-6-10-7-16-11(13)14-10/h1-4,10H,5-7H2,(H2,13,14).
What are the key properties of 4-[(4-chlorophenyl)methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine?
4-[(4-chlorophenyl)methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 240.69 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 68714803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).