benzyl 3-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoate

C14H16FNO3 — CID 162418646

IUPACbenzyl 3-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoate
SMILESO=C(CCC1=NCC(CF)O1)OCc1ccccc1
InChIInChI=1S/C14H16FNO3/c15-8-12-9-16-13(19-12)6-7-14(17)18-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyRNGLQVKWIKJSIQ-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.28
Rot. Bonds6

About benzyl 3-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoate

benzyl 3-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoate (PubChem CID 162418646) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is benzyl 3-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoate.

Molecular Properties

Compound Namebenzyl 3-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoate
PubChem CID162418646
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Namebenzyl 3-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoate
SMILESO=C(CCC1=NCC(CF)O1)OCc1ccccc1
InChIInChI=1S/C14H16FNO3/c15-8-12-9-16-13(19-12)6-7-14(17)18-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyRNGLQVKWIKJSIQ-UHFFFAOYSA-N
XLogP2.28
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl (4S,5S)-dihydro-5-methyl-2-phenyl-4-oxazolecarboxylate
CID 719711
Isopropyl 2-phenyl-2-oxazoline-4-carboxylate
CID 589632
(4S, 5R) 5-methyl-2-phenyl-4,5-dihydrooxazole-4-carboxylic acid methyl ester
CID 719713
2-(4-fluorophenyl)-4-methyl-4H-1,3-oxazol-5-one
CID 46844549
Tert-butyl 2-(2-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 102573354
Tert-butyl 2-(3-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 135077542
Tert-butyl 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 135077543
5-(Fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole
CID 138964377
2-(2,6-difluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 139252960
2-(2-fluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 139252961
2-(4-fluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 139259605
2-Phenyl-4-carbomethoxy-5-methyl-cis-oxazoline
CID 719715

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoate?
The IUPAC name of benzyl 3-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoate (CID 162418646) is benzyl 3-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoate.
What is the SMILES notation for benzyl 3-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoate?
The canonical SMILES for benzyl 3-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoate is O=C(CCC1=NCC(CF)O1)OCc1ccccc1.
What is the InChIKey of benzyl 3-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoate?
The InChIKey is RNGLQVKWIKJSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c15-8-12-9-16-13(19-12)6-7-14(17)18-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2.
What are the key properties of benzyl 3-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoate?
benzyl 3-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoate has a molecular weight of 265.28 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoate is sourced from PubChem (CID 162418646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).