2-[(1E)-penta-1,4-dienyl]-1,3-oxazole

C8H9NO — CID 57042096

IUPAC2-[(1E)-penta-1,4-dienyl]-1,3-oxazole
SMILESC=CC/C=C/c1ncco1
InChIInChI=1S/C8H9NO/c1-2-3-4-5-8-9-6-7-10-8/h2,4-7H,1,3H2/b5-4+
InChIKeyWXVNTRVVCBCPNE-SNAWJCMRSA-N
MW135.17 g/mol
LogP2.26
Rot. Bonds3

About 2-[(1E)-penta-1,4-dienyl]-1,3-oxazole

2-[(1E)-penta-1,4-dienyl]-1,3-oxazole (PubChem CID 57042096) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-[(1E)-penta-1,4-dienyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(1E)-penta-1,4-dienyl]-1,3-oxazole
PubChem CID57042096
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name2-[(1E)-penta-1,4-dienyl]-1,3-oxazole
SMILESC=CC/C=C/c1ncco1
InChIInChI=1S/C8H9NO/c1-2-3-4-5-8-9-6-7-10-8/h2,4-7H,1,3H2/b5-4+
InChIKeyWXVNTRVVCBCPNE-SNAWJCMRSA-N
XLogP2.26
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Vinyloxazole
CID 17860064
(2E)-3-(1,3-oxazol-2-yl)prop-2-enoic acid
CID 19777711
Oxazolylbutadiene
CID 57241033
(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
(E)-2-fluoro-3-(1,3-oxazol-2-yl)prop-2-enoic acid
CID 170439049
(Z)-2-fluoro-3-(1,3-oxazol-2-yl)prop-2-enoic acid
CID 170439060
ethyl (E)-2-fluoro-3-(1,3-oxazol-2-yl)prop-2-enoate
CID 170619040
ethyl (Z)-2-fluoro-3-(1,3-oxazol-2-yl)prop-2-enoate
CID 170619108
2-[(Z)-2-fluoroethenyl]-1,3-oxazole
CID 170939630
2-(2,3,3-Trifluoroprop-1-enyl)-1,3-oxazole
CID 173233723
2-Fluoro-3-(1,3-oxazol-2-yl)prop-2-enal
CID 176330580

Frequently Asked Questions

What is the IUPAC name of 2-[(1E)-penta-1,4-dienyl]-1,3-oxazole?
The IUPAC name of 2-[(1E)-penta-1,4-dienyl]-1,3-oxazole (CID 57042096) is 2-[(1E)-penta-1,4-dienyl]-1,3-oxazole.
What is the SMILES notation for 2-[(1E)-penta-1,4-dienyl]-1,3-oxazole?
The canonical SMILES for 2-[(1E)-penta-1,4-dienyl]-1,3-oxazole is C=CC/C=C/c1ncco1.
What is the InChIKey of 2-[(1E)-penta-1,4-dienyl]-1,3-oxazole?
The InChIKey is WXVNTRVVCBCPNE-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H9NO/c1-2-3-4-5-8-9-6-7-10-8/h2,4-7H,1,3H2/b5-4+.
What are the key properties of 2-[(1E)-penta-1,4-dienyl]-1,3-oxazole?
2-[(1E)-penta-1,4-dienyl]-1,3-oxazole has a molecular weight of 135.17 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E)-penta-1,4-dienyl]-1,3-oxazole is sourced from PubChem (CID 57042096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).