2-cyclohexa-1,5-dien-1-yl-1,3-oxazole

C9H9NO — CID 53416081

IUPAC2-cyclohexa-1,5-dien-1-yl-1,3-oxazole
SMILESC1=CC(c2ncco2)=CCC1
InChIInChI=1S/C9H9NO/c1-2-4-8(5-3-1)9-10-6-7-11-9/h2,4-7H,1,3H2
InChIKeyNCLAMUNAXPFPEA-UHFFFAOYSA-N
MW147.18 g/mol
LogP2.41
Rot. Bonds1

About 2-cyclohexa-1,5-dien-1-yl-1,3-oxazole

2-cyclohexa-1,5-dien-1-yl-1,3-oxazole (PubChem CID 53416081) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-1,3-oxazole.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-1,3-oxazole
PubChem CID53416081
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name2-cyclohexa-1,5-dien-1-yl-1,3-oxazole
SMILESC1=CC(c2ncco2)=CCC1
InChIInChI=1S/C9H9NO/c1-2-4-8(5-3-1)9-10-6-7-11-9/h2,4-7H,1,3H2
InChIKeyNCLAMUNAXPFPEA-UHFFFAOYSA-N
XLogP2.41
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-methoxy-N-methyl-N-[(2E,6Z,8Z)-11-(1,3-oxazol-2-yl)dodeca-2,6,8,11-tetraenyl]but-2-enamide
CID 134996999
Oxazolylbutadiene
CID 57241033
Dihydrophenyloxazole
CID 145925814
2-(3-Fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazole
CID 91401288
4-Ethyl-5-fluoro-6-(1,3-oxazol-2-yl)cyclohepta-1,4,6-triene-1-carbonitrile
CID 123188746
(2E,3Z)-2-ethylidene-5-fluoro-4-(1,3-oxazol-2-yl)hexa-3,5-dienenitrile
CID 138528295
(2Z,5Z)-5-fluoro-N-methyl-N-(3-methylbuta-1,3-dien-2-yl)-6-(1,3-oxazol-2-yl)hexa-2,5-dien-3-amine
CID 153601584
2-[(E)-3-fluorobut-1-enyl]-1,3-oxazole
CID 144057687
2-Prop-1-en-2-yl-1,3-oxazole
CID 11007842
2-[(E)-2-cyclohexylethenyl]-1,3-oxazole
CID 17842702
2-(4-Fluorobenzene-6-id-1-yl)-1,3-oxazole;iridium
CID 21032976
2-[(E)-3-methylbut-1-enyl]-1,3-oxazole
CID 21132588

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-1,3-oxazole?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-1,3-oxazole (CID 53416081) is 2-cyclohexa-1,5-dien-1-yl-1,3-oxazole.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-1,3-oxazole?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-1,3-oxazole is C1=CC(c2ncco2)=CCC1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-1,3-oxazole?
The InChIKey is NCLAMUNAXPFPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-2-4-8(5-3-1)9-10-6-7-11-9/h2,4-7H,1,3H2.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-1,3-oxazole?
2-cyclohexa-1,5-dien-1-yl-1,3-oxazole has a molecular weight of 147.18 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-1,3-oxazole is sourced from PubChem (CID 53416081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).