2-[2-(3-fluorophenyl)ethyl]-4-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol

C20H15FN2O2 — CID 136893064

IUPAC2-[2-(3-fluorophenyl)ethyl]-4-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol
SMILESOc1oc(CCc2cccc(F)c2)nc1/C=C1\C=Nc2ccccc21
InChIInChI=1S/C20H15FN2O2/c21-15-5-3-4-13(10-15)8-9-19-23-18(20(24)25-19)11-14-12-22-17-7-2-1-6-16(14)17/h1-7,10-12,24H,8-9H2/b14-11+
InChIKeyOUJBNZYOGITQBY-SDNWHVSQSA-N
MW334.35 g/mol
LogP4.56
Rot. Bonds4

About 2-[2-(3-fluorophenyl)ethyl]-4-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol

2-[2-(3-fluorophenyl)ethyl]-4-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol (PubChem CID 136893064) has the molecular formula C20H15FN2O2 and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)ethyl]-4-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)ethyl]-4-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol
PubChem CID136893064
Molecular FormulaC20H15FN2O2
Molecular Weight334.35 g/mol
Exact Mass334.11
IUPAC Name2-[2-(3-fluorophenyl)ethyl]-4-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol
SMILESOc1oc(CCc2cccc(F)c2)nc1/C=C1\C=Nc2ccccc21
InChIInChI=1S/C20H15FN2O2/c21-15-5-3-4-13(10-15)8-9-19-23-18(20(24)25-19)11-14-12-22-17-7-2-1-6-16(14)17/h1-7,10-12,24H,8-9H2/b14-11+
InChIKeyOUJBNZYOGITQBY-SDNWHVSQSA-N
XLogP4.56
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxylic acid
CID 82291027
2-[2-(3-fluorophenyl)ethylamino]-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol
CID 135407417
2-[2-(3-fluorophenyl)ethyl]-3H-quinolin-4-one
CID 141223475
2-(2-fluorophenyl)-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole
CID 53017518
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-fluorophenyl)propanamide
CID 87043554
1-fluoro-3-[2-(4-phenylphenyl)ethyl]benzene
CID 174588625
2-[(3-fluorophenyl)methyl]-1,3-benzoxazol-4-amine
CID 79022264
(4E)-4-benzylidene-2-[2-(3-fluorophenyl)ethyl]-1,3-oxazol-5-one
CID 108935994
2-[2-(3-fluorophenyl)ethyl]-5-(3-methylbenzimidazol-5-yl)-1,3,4-oxadiazole
CID 68663623
2-[[2-(3-fluorophenyl)ethylamino]methyl]phenol
CID 43565959
(2E)-2-(fluoromethylidene)-4-(3-fluorophenyl)butan-1-amine;2,2,2-trifluoroacetic acid
CID 66982732
N-[(3-fluorophenyl)methyl]-1,3-benzoxazol-2-amine
CID 47170554

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)ethyl]-4-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol?
The IUPAC name of 2-[2-(3-fluorophenyl)ethyl]-4-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol (CID 136893064) is 2-[2-(3-fluorophenyl)ethyl]-4-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol.
What is the SMILES notation for 2-[2-(3-fluorophenyl)ethyl]-4-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol?
The canonical SMILES for 2-[2-(3-fluorophenyl)ethyl]-4-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol is Oc1oc(CCc2cccc(F)c2)nc1/C=C1\C=Nc2ccccc21.
What is the InChIKey of 2-[2-(3-fluorophenyl)ethyl]-4-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol?
The InChIKey is OUJBNZYOGITQBY-SDNWHVSQSA-N. The full InChI is InChI=1S/C20H15FN2O2/c21-15-5-3-4-13(10-15)8-9-19-23-18(20(24)25-19)11-14-12-22-17-7-2-1-6-16(14)17/h1-7,10-12,24H,8-9H2/b14-11+.
What are the key properties of 2-[2-(3-fluorophenyl)ethyl]-4-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol?
2-[2-(3-fluorophenyl)ethyl]-4-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol has a molecular weight of 334.35 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)ethyl]-4-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol is sourced from PubChem (CID 136893064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).