methyl 2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylate

C12H12FNO3 — CID 24740990

IUPACmethyl 2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylate
SMILESCOC(=O)C1CCOC(c2cccc(F)c2)=N1
InChIInChI=1S/C12H12FNO3/c1-16-12(15)10-5-6-17-11(14-10)8-3-2-4-9(13)7-8/h2-4,7,10H,5-6H2,1H3
InChIKeyCGZZFIFJHZEQRU-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.53
Rot. Bonds2

About methyl 2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylate

methyl 2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylate (PubChem CID 24740990) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is methyl 2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylate
PubChem CID24740990
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Namemethyl 2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylate
SMILESCOC(=O)C1CCOC(c2cccc(F)c2)=N1
InChIInChI=1S/C12H12FNO3/c1-16-12(15)10-5-6-17-11(14-10)8-3-2-4-9(13)7-8/h2-4,7,10H,5-6H2,1H3
InChIKeyCGZZFIFJHZEQRU-UHFFFAOYSA-N
XLogP1.53
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-2-phenyl-2-oxazoline-5-one
CID 495826
Ethyl 2-(dimethylamino)-6-(2-fluorophenyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate
CID 625601
Methyl (4S,5S)-dihydro-5-methyl-2-phenyl-4-oxazolecarboxylate
CID 719711
Methyl (S)-(+)-4,5-dihydro-2-phenyl-4-oxazolecarboxylate
CID 11074512
benzyl (4S)-2-phenyl-4,5-dihydrooxazole-4-carboxylate
CID 46201142
4-Isopropyl-2-phenyl-2-oxazoline-5-one
CID 339098
Methyl 2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 3609401
benzyl (4S)-2-(3-fluorophenyl)-4,5-dihydrooxazole-4-carboxylate
CID 46201210
(4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic Acid
CID 11218129
2-Phenyl-4,5-dihydro-oxazole-4-carboxylic acid
CID 22220877
(4S,5S)-5-methyl-2-phenyl-4,5-dihydrooxazole-4-carboxylic acid
CID 46889284
2-Phenyl-2-oxazoline-4-carboxylic acid tert-butyl ester
CID 11736742

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylate?
The IUPAC name of methyl 2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylate (CID 24740990) is methyl 2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylate.
What is the SMILES notation for methyl 2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylate?
The canonical SMILES for methyl 2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylate is COC(=O)C1CCOC(c2cccc(F)c2)=N1.
What is the InChIKey of methyl 2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylate?
The InChIKey is CGZZFIFJHZEQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c1-16-12(15)10-5-6-17-11(14-10)8-3-2-4-9(13)7-8/h2-4,7,10H,5-6H2,1H3.
What are the key properties of methyl 2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylate?
methyl 2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylate has a molecular weight of 237.23 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine-4-carboxylate is sourced from PubChem (CID 24740990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).