4-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-5-methyl-1,3-oxazole

C13H14FNO — CID 142936356

IUPAC4-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-5-methyl-1,3-oxazole
SMILESCCc1nc(C2=CC=C(F)C=CC2)oc1C
InChIInChI=1S/C13H14FNO/c1-3-12-9(2)16-13(15-12)10-5-4-6-11(14)8-7-10/h4,6-8H,3,5H2,1-2H3
InChIKeyNSZGFWOSXFUKFX-UHFFFAOYSA-N
MW219.26 g/mol
LogP3.74
Rot. Bonds2

About 4-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-5-methyl-1,3-oxazole

4-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-5-methyl-1,3-oxazole (PubChem CID 142936356) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 4-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-5-methyl-1,3-oxazole
PubChem CID142936356
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name4-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-5-methyl-1,3-oxazole
SMILESCCc1nc(C2=CC=C(F)C=CC2)oc1C
InChIInChI=1S/C13H14FNO/c1-3-12-9(2)16-13(15-12)10-5-4-6-11(14)8-7-10/h4,6-8H,3,5H2,1-2H3
InChIKeyNSZGFWOSXFUKFX-UHFFFAOYSA-N
XLogP3.74
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Dimethyl-4-prop-2-enyl-1,3-oxazole
CID 15176130
5-(5-Fluoro-6-methylhepta-2,4,6-trien-3-yl)-2,4-dimethyl-1,3-oxazole
CID 91492923
4-Methyl-5-(2-methylidenebut-3-enyl)-2-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-1,3-oxazole
CID 134580655
5-[(Z)-3-fluoroprop-1-enyl]-2,4-dimethyl-1,3-oxazole
CID 141904051
5-(Bromomethyl)-4-methyl-2-[4-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]-1,3-oxazole
CID 143640612
2,5-bis(ethenyl)-4-[(Z)-4-(2-fluoroethoxy)but-2-enyl]-1,3-oxazole
CID 143707719
2-(4-fluorocyclohepta-1,3,6-trien-1-yl)-5-methyl-4-[(2E)-penta-2,4-dien-2-yl]-1,3-oxazole
CID 144879705
2-[(E)-2-cyclopropylethenyl]-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
CID 176763539
4,5-bis(ethenyl)-2-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]-1,3-oxazole
CID 142810880
4-Ethyl-2-(4-fluorocyclohepta-1,3-dien-1-yl)-5-methyl-1,3-oxazole
CID 142936155
4-ethyl-2-[(1Z,3E)-1-(1-fluorocyclopropyl)penta-1,3-dien-3-yl]-5-methyl-1,3-oxazole
CID 142936506
2-Methyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,3-oxazole
CID 148800021

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-5-methyl-1,3-oxazole?
The IUPAC name of 4-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-5-methyl-1,3-oxazole (CID 142936356) is 4-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-5-methyl-1,3-oxazole.
What is the SMILES notation for 4-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-5-methyl-1,3-oxazole?
The canonical SMILES for 4-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-5-methyl-1,3-oxazole is CCc1nc(C2=CC=C(F)C=CC2)oc1C.
What is the InChIKey of 4-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-5-methyl-1,3-oxazole?
The InChIKey is NSZGFWOSXFUKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-3-12-9(2)16-13(15-12)10-5-4-6-11(14)8-7-10/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 4-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-5-methyl-1,3-oxazole?
4-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-5-methyl-1,3-oxazole has a molecular weight of 219.26 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-5-methyl-1,3-oxazole is sourced from PubChem (CID 142936356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).