methyl (4R)-2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate

C11H10FNO3 — CID 10878773

IUPACmethyl (4R)-2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)[C@H]1COC(c2ccc(F)cc2)=N1
InChIInChI=1S/C11H10FNO3/c1-15-11(14)9-6-16-10(13-9)7-2-4-8(12)5-3-7/h2-5,9H,6H2,1H3/t9-/m1/s1
InChIKeyIGXJGIWYHHTFMG-SECBINFHSA-N
MW223.20 g/mol
LogP1.14
Rot. Bonds2

About methyl (4R)-2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate

methyl (4R)-2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 10878773) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is methyl (4R)-2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID10878773
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Namemethyl (4R)-2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)[C@H]1COC(c2ccc(F)cc2)=N1
InChIInChI=1S/C11H10FNO3/c1-15-11(14)9-6-16-10(13-9)7-2-4-8(12)5-3-7/h2-5,9H,6H2,1H3/t9-/m1/s1
InChIKeyIGXJGIWYHHTFMG-SECBINFHSA-N
XLogP1.14
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-2-phenyl-2-oxazoline-5-one
CID 495826
Azlactone
CID 65073
4-Isopropylidene-2-phenyl-5(4H)-oxazole
CID 225481
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
Oxazole, 2-(4-fluorophenyl)-4,5-dihydro-4,4-dimethyl-
CID 156132
4-Isopropyl-2-phenyl-2-oxazoline-5-one
CID 339098
Methyl 2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 3609401
4-(Ethoxymethylene)-2-(4-fluorophenyl)-1,3-oxazolin-5-one
CID 6531488
2-(4-fluorophenyl)-N-hydroxy-4,5-dihydrooxazole-4-carboxamide
CID 44336181
benzyl (4S)-2-(3-fluorophenyl)-4,5-dihydrooxazole-4-carboxylate
CID 46201210

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl (4R)-2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 10878773) is methyl (4R)-2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl (4R)-2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl (4R)-2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate is COC(=O)[C@H]1COC(c2ccc(F)cc2)=N1.
What is the InChIKey of methyl (4R)-2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is IGXJGIWYHHTFMG-SECBINFHSA-N. The full InChI is InChI=1S/C11H10FNO3/c1-15-11(14)9-6-16-10(13-9)7-2-4-8(12)5-3-7/h2-5,9H,6H2,1H3/t9-/m1/s1.
What are the key properties of methyl (4R)-2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
methyl (4R)-2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 223.20 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 10878773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).