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

C14H14ClFN2O2 — CID 66200709

IUPAC4-(2-chloro-6-fluorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine
SMILESNc1noc(C2CCCOC2)c1-c1c(F)cccc1Cl
InChIInChI=1S/C14H14ClFN2O2/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)
InChIKeyVUVFBDQGNMTJAP-UHFFFAOYSA-N
MW296.73 g/mol
LogP3.61
Rot. Bonds2

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

4-(2-chloro-6-fluorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine (PubChem CID 66200709) has the molecular formula C14H14ClFN2O2 and a molecular weight of 296.73 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine
PubChem CID66200709
Molecular FormulaC14H14ClFN2O2
Molecular Weight296.73 g/mol
Exact Mass296.07
IUPAC Name4-(2-chloro-6-fluorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine
SMILESNc1noc(C2CCCOC2)c1-c1c(F)cccc1Cl
InChIInChI=1S/C14H14ClFN2O2/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)
InChIKeyVUVFBDQGNMTJAP-UHFFFAOYSA-N
XLogP3.61
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine (CID 66200709) is 4-(2-chloro-6-fluorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine is Nc1noc(C2CCCOC2)c1-c1c(F)cccc1Cl.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine?
The InChIKey is VUVFBDQGNMTJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2/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-chloro-6-fluorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine?
4-(2-chloro-6-fluorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine has a molecular weight of 296.73 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66200709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).