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

C14H16FNO3 — CID 11140021

IUPACmethyl (4R)-2-(4-fluoro-3-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCCc1cc(C2=N[C@@H](C(=O)OC)CO2)ccc1F
InChIInChI=1S/C14H16FNO3/c1-3-4-9-7-10(5-6-11(9)15)13-16-12(8-19-13)14(17)18-2/h5-7,12H,3-4,8H2,1-2H3/t12-/m1/s1
InChIKeyCKHCCDPCSRKLEQ-GFCCVEGCSA-N
MW265.28 g/mol
LogP2.10
Rot. Bonds4

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

methyl (4R)-2-(4-fluoro-3-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 11140021) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is methyl (4R)-2-(4-fluoro-3-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-2-(4-fluoro-3-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID11140021
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Namemethyl (4R)-2-(4-fluoro-3-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCCc1cc(C2=N[C@@H](C(=O)OC)CO2)ccc1F
InChIInChI=1S/C14H16FNO3/c1-3-4-9-7-10(5-6-11(9)15)13-16-12(8-19-13)14(17)18-2/h5-7,12H,3-4,8H2,1-2H3/t12-/m1/s1
InChIKeyCKHCCDPCSRKLEQ-GFCCVEGCSA-N
XLogP2.10
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (4R)-2-(4-fluoro-3-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl (4R)-2-(4-fluoro-3-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 11140021) is methyl (4R)-2-(4-fluoro-3-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl (4R)-2-(4-fluoro-3-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl (4R)-2-(4-fluoro-3-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate is CCCc1cc(C2=N[C@@H](C(=O)OC)CO2)ccc1F.
What is the InChIKey of methyl (4R)-2-(4-fluoro-3-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is CKHCCDPCSRKLEQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-3-4-9-7-10(5-6-11(9)15)13-16-12(8-19-13)14(17)18-2/h5-7,12H,3-4,8H2,1-2H3/t12-/m1/s1.
What are the key properties of methyl (4R)-2-(4-fluoro-3-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
methyl (4R)-2-(4-fluoro-3-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 265.28 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-2-(4-fluoro-3-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 11140021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).