4-[3-(2,6-dichlorophenyl)-4-methylidene-1,2-oxazol-5-yl]morpholine

C14H14Cl2N2O2 — CID 12647744

IUPAC4-[3-(2,6-dichlorophenyl)-4-methylidene-1,2-oxazol-5-yl]morpholine
SMILESC=C1C(c2c(Cl)cccc2Cl)=NOC1N1CCOCC1
InChIInChI=1S/C14H14Cl2N2O2/c1-9-13(12-10(15)3-2-4-11(12)16)17-20-14(9)18-5-7-19-8-6-18/h2-4,14H,1,5-8H2
InChIKeyOOOJKAKIPRQONK-UHFFFAOYSA-N
MW313.18 g/mol
LogP2.94
Rot. Bonds2

About 4-[3-(2,6-dichlorophenyl)-4-methylidene-1,2-oxazol-5-yl]morpholine

4-[3-(2,6-dichlorophenyl)-4-methylidene-1,2-oxazol-5-yl]morpholine (PubChem CID 12647744) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is 4-[3-(2,6-dichlorophenyl)-4-methylidene-1,2-oxazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(2,6-dichlorophenyl)-4-methylidene-1,2-oxazol-5-yl]morpholine
PubChem CID12647744
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC Name4-[3-(2,6-dichlorophenyl)-4-methylidene-1,2-oxazol-5-yl]morpholine
SMILESC=C1C(c2c(Cl)cccc2Cl)=NOC1N1CCOCC1
InChIInChI=1S/C14H14Cl2N2O2/c1-9-13(12-10(15)3-2-4-11(12)16)17-20-14(9)18-5-7-19-8-6-18/h2-4,14H,1,5-8H2
InChIKeyOOOJKAKIPRQONK-UHFFFAOYSA-N
XLogP2.94
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,6-dichlorophenyl)-4-methylidene-1,2-oxazol-5-yl]morpholine?
The IUPAC name of 4-[3-(2,6-dichlorophenyl)-4-methylidene-1,2-oxazol-5-yl]morpholine (CID 12647744) is 4-[3-(2,6-dichlorophenyl)-4-methylidene-1,2-oxazol-5-yl]morpholine.
What is the SMILES notation for 4-[3-(2,6-dichlorophenyl)-4-methylidene-1,2-oxazol-5-yl]morpholine?
The canonical SMILES for 4-[3-(2,6-dichlorophenyl)-4-methylidene-1,2-oxazol-5-yl]morpholine is C=C1C(c2c(Cl)cccc2Cl)=NOC1N1CCOCC1.
What is the InChIKey of 4-[3-(2,6-dichlorophenyl)-4-methylidene-1,2-oxazol-5-yl]morpholine?
The InChIKey is OOOJKAKIPRQONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c1-9-13(12-10(15)3-2-4-11(12)16)17-20-14(9)18-5-7-19-8-6-18/h2-4,14H,1,5-8H2.
What are the key properties of 4-[3-(2,6-dichlorophenyl)-4-methylidene-1,2-oxazol-5-yl]morpholine?
4-[3-(2,6-dichlorophenyl)-4-methylidene-1,2-oxazol-5-yl]morpholine has a molecular weight of 313.18 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,6-dichlorophenyl)-4-methylidene-1,2-oxazol-5-yl]morpholine is sourced from PubChem (CID 12647744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).