4-(2,6-dichlorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine

C14H14Cl2N2O2 — CID 66206231

IUPAC4-(2,6-dichlorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine
SMILESNc1noc(C2CCCOC2)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C14H14Cl2N2O2/c15-9-4-1-5-10(16)11(9)12-13(20-18-14(12)17)8-3-2-6-19-7-8/h1,4-5,8H,2-3,6-7H2,(H2,17,18)
InChIKeyXDBHRYIUMSKWQU-UHFFFAOYSA-N
MW313.18 g/mol
LogP4.12
Rot. Bonds2

About 4-(2,6-dichlorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine

4-(2,6-dichlorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine (PubChem CID 66206231) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine
PubChem CID66206231
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC Name4-(2,6-dichlorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine
SMILESNc1noc(C2CCCOC2)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C14H14Cl2N2O2/c15-9-4-1-5-10(16)11(9)12-13(20-18-14(12)17)8-3-2-6-19-7-8/h1,4-5,8H,2-3,6-7H2,(H2,17,18)
InChIKeyXDBHRYIUMSKWQU-UHFFFAOYSA-N
XLogP4.12
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(2,6-dichlorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine (CID 66206231) is 4-(2,6-dichlorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2,6-dichlorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2,6-dichlorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine is Nc1noc(C2CCCOC2)c1-c1c(Cl)cccc1Cl.
What is the InChIKey of 4-(2,6-dichlorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine?
The InChIKey is XDBHRYIUMSKWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c15-9-4-1-5-10(16)11(9)12-13(20-18-14(12)17)8-3-2-6-19-7-8/h1,4-5,8H,2-3,6-7H2,(H2,17,18).
What are the key properties of 4-(2,6-dichlorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine?
4-(2,6-dichlorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine has a molecular weight of 313.18 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66206231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).