2-cyclohepta-1,6-dien-1-yl-4-ethyl-5-methyl-1,3-oxazole

C13H17NO — CID 123824548

IUPAC2-cyclohepta-1,6-dien-1-yl-4-ethyl-5-methyl-1,3-oxazole
SMILESCCc1nc(C2=CCCCC=C2)oc1C
InChIInChI=1S/C13H17NO/c1-3-12-10(2)15-13(14-12)11-8-6-4-5-7-9-11/h6,8-9H,3-5,7H2,1-2H3
InChIKeyGOYUKXGCWSDLHI-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.67
Rot. Bonds2

About 2-cyclohepta-1,6-dien-1-yl-4-ethyl-5-methyl-1,3-oxazole

2-cyclohepta-1,6-dien-1-yl-4-ethyl-5-methyl-1,3-oxazole (PubChem CID 123824548) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-cyclohepta-1,6-dien-1-yl-4-ethyl-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-cyclohepta-1,6-dien-1-yl-4-ethyl-5-methyl-1,3-oxazole
PubChem CID123824548
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2-cyclohepta-1,6-dien-1-yl-4-ethyl-5-methyl-1,3-oxazole
SMILESCCc1nc(C2=CCCCC=C2)oc1C
InChIInChI=1S/C13H17NO/c1-3-12-10(2)15-13(14-12)11-8-6-4-5-7-9-11/h6,8-9H,3-5,7H2,1-2H3
InChIKeyGOYUKXGCWSDLHI-UHFFFAOYSA-N
XLogP3.67
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.67
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
4-Ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-5-methyl-1,3-oxazole
CID 142936356
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
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
4,5-dimethyl-2-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]-1,3-oxazole
CID 149289412

Frequently Asked Questions

What is the IUPAC name of 2-cyclohepta-1,6-dien-1-yl-4-ethyl-5-methyl-1,3-oxazole?
The IUPAC name of 2-cyclohepta-1,6-dien-1-yl-4-ethyl-5-methyl-1,3-oxazole (CID 123824548) is 2-cyclohepta-1,6-dien-1-yl-4-ethyl-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-cyclohepta-1,6-dien-1-yl-4-ethyl-5-methyl-1,3-oxazole?
The canonical SMILES for 2-cyclohepta-1,6-dien-1-yl-4-ethyl-5-methyl-1,3-oxazole is CCc1nc(C2=CCCCC=C2)oc1C.
What is the InChIKey of 2-cyclohepta-1,6-dien-1-yl-4-ethyl-5-methyl-1,3-oxazole?
The InChIKey is GOYUKXGCWSDLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-12-10(2)15-13(14-12)11-8-6-4-5-7-9-11/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of 2-cyclohepta-1,6-dien-1-yl-4-ethyl-5-methyl-1,3-oxazole?
2-cyclohepta-1,6-dien-1-yl-4-ethyl-5-methyl-1,3-oxazole has a molecular weight of 203.28 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohepta-1,6-dien-1-yl-4-ethyl-5-methyl-1,3-oxazole is sourced from PubChem (CID 123824548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).