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

C14H14Cl2N2O2 — CID 63013669

IUPAC4-(3,4-dichlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine
SMILESNc1onc(C2CCCOC2)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2O2/c15-10-4-3-8(6-11(10)16)12-13(18-20-14(12)17)9-2-1-5-19-7-9/h3-4,6,9H,1-2,5,7,17H2
InChIKeyLJMFHJFFPBRLGY-UHFFFAOYSA-N
MW313.18 g/mol
LogP4.12
Rot. Bonds2

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

4-(3,4-dichlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine (PubChem CID 63013669) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine
PubChem CID63013669
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC Name4-(3,4-dichlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine
SMILESNc1onc(C2CCCOC2)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2O2/c15-10-4-3-8(6-11(10)16)12-13(18-20-14(12)17)9-2-1-5-19-7-9/h3-4,6,9H,1-2,5,7,17H2
InChIKeyLJMFHJFFPBRLGY-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-(3,4-dichlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine (CID 63013669) is 4-(3,4-dichlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine is Nc1onc(C2CCCOC2)c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine?
The InChIKey is LJMFHJFFPBRLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c15-10-4-3-8(6-11(10)16)12-13(18-20-14(12)17)9-2-1-5-19-7-9/h3-4,6,9H,1-2,5,7,17H2.
What are the key properties of 4-(3,4-dichlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine?
4-(3,4-dichlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-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-(3,4-dichlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 63013669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).