2-(2-chloro-6-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-oxazine

C18H17ClFNO2 — CID 54289080

IUPAC2-(2-chloro-6-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-oxazine
SMILESCOc1ccc(CC2CCOC(c3c(F)cccc3Cl)=N2)cc1
InChIInChI=1S/C18H17ClFNO2/c1-22-14-7-5-12(6-8-14)11-13-9-10-23-18(21-13)17-15(19)3-2-4-16(17)20/h2-8,13H,9-11H2,1H3
InChIKeyRWFRQUKDNOTLJP-UHFFFAOYSA-N
MW333.79 g/mol
LogP4.27
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-oxazine

2-(2-chloro-6-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-oxazine (PubChem CID 54289080) has the molecular formula C18H17ClFNO2 and a molecular weight of 333.79 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-oxazine
PubChem CID54289080
Molecular FormulaC18H17ClFNO2
Molecular Weight333.79 g/mol
Exact Mass333.09
IUPAC Name2-(2-chloro-6-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-oxazine
SMILESCOc1ccc(CC2CCOC(c3c(F)cccc3Cl)=N2)cc1
InChIInChI=1S/C18H17ClFNO2/c1-22-14-7-5-12(6-8-14)11-13-9-10-23-18(21-13)17-15(19)3-2-4-16(17)20/h2-8,13H,9-11H2,1H3
InChIKeyRWFRQUKDNOTLJP-UHFFFAOYSA-N
XLogP4.27
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-6-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-oxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-oxazine (CID 54289080) is 2-(2-chloro-6-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-oxazine is COc1ccc(CC2CCOC(c3c(F)cccc3Cl)=N2)cc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is RWFRQUKDNOTLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO2/c1-22-14-7-5-12(6-8-14)11-13-9-10-23-18(21-13)17-15(19)3-2-4-16(17)20/h2-8,13H,9-11H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-oxazine?
2-(2-chloro-6-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 333.79 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 54289080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).