2-ethyl-4-(2-fluorophenyl)-4,5-dihydro-1,3-oxazole

C11H12FNO — CID 142401480

IUPAC2-ethyl-4-(2-fluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESCCC1=NC(c2ccccc2F)CO1
InChIInChI=1S/C11H12FNO/c1-2-11-13-10(7-14-11)8-5-3-4-6-9(8)12/h3-6,10H,2,7H2,1H3
InChIKeyQMPVNZUJEAQXRL-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.71
Rot. Bonds2

About 2-ethyl-4-(2-fluorophenyl)-4,5-dihydro-1,3-oxazole

2-ethyl-4-(2-fluorophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 142401480) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-ethyl-4-(2-fluorophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-ethyl-4-(2-fluorophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID142401480
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name2-ethyl-4-(2-fluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESCCC1=NC(c2ccccc2F)CO1
InChIInChI=1S/C11H12FNO/c1-2-11-13-10(7-14-11)8-5-3-4-6-9(8)12/h3-6,10H,2,7H2,1H3
InChIKeyQMPVNZUJEAQXRL-UHFFFAOYSA-N
XLogP2.71
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-2-phenylmethyl-2-oxazoline
CID 98710
RO-5263397
CID 56835991
(S)-4-(3-Fluorophenyl)-4,5-dihydrooxazol-2-amine
CID 59323617
(S,S)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
CID 676388
Ph-box, (R,R)-
CID 676390
AG-H-02521
CID 5325154
(4R)-4-(2,4-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966110
(4S)-4-(2,3-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966111
(4S)-4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966114
(4S)-4-(3,4-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966462
(4S)-4-(3,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966467
4-(2,5-Difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323655

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-fluorophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-ethyl-4-(2-fluorophenyl)-4,5-dihydro-1,3-oxazole (CID 142401480) is 2-ethyl-4-(2-fluorophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-ethyl-4-(2-fluorophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-ethyl-4-(2-fluorophenyl)-4,5-dihydro-1,3-oxazole is CCC1=NC(c2ccccc2F)CO1.
What is the InChIKey of 2-ethyl-4-(2-fluorophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is QMPVNZUJEAQXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-2-11-13-10(7-14-11)8-5-3-4-6-9(8)12/h3-6,10H,2,7H2,1H3.
What are the key properties of 2-ethyl-4-(2-fluorophenyl)-4,5-dihydro-1,3-oxazole?
2-ethyl-4-(2-fluorophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 193.22 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-fluorophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 142401480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).