(4E,5E)-5-[(Z)-but-2-enylidene]-4-(2-methylbutylidene)-1,3-oxazole

C12H17NO — CID 142425366

IUPAC(4E,5E)-5-[(Z)-but-2-enylidene]-4-(2-methylbutylidene)-1,3-oxazole
SMILESC/C=C\C=c1\ocn\c1=C\C(C)CC
InChIInChI=1S/C12H17NO/c1-4-6-7-12-11(13-9-14-12)8-10(3)5-2/h4,6-10H,5H2,1-3H3/b6-4-,11-8+,12-7+
InChIKeyXPXRNBMLABZNQR-XZSRYTFWSA-N
MW191.27 g/mol
LogP1.86
Rot. Bonds3

About (4E,5E)-5-[(Z)-but-2-enylidene]-4-(2-methylbutylidene)-1,3-oxazole

(4E,5E)-5-[(Z)-but-2-enylidene]-4-(2-methylbutylidene)-1,3-oxazole (PubChem CID 142425366) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (4E,5E)-5-[(Z)-but-2-enylidene]-4-(2-methylbutylidene)-1,3-oxazole.

Molecular Properties

Compound Name(4E,5E)-5-[(Z)-but-2-enylidene]-4-(2-methylbutylidene)-1,3-oxazole
PubChem CID142425366
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(4E,5E)-5-[(Z)-but-2-enylidene]-4-(2-methylbutylidene)-1,3-oxazole
SMILESC/C=C\C=c1\ocn\c1=C\C(C)CC
InChIInChI=1S/C12H17NO/c1-4-6-7-12-11(13-9-14-12)8-10(3)5-2/h4,6-10H,5H2,1-3H3/b6-4-,11-8+,12-7+
InChIKeyXPXRNBMLABZNQR-XZSRYTFWSA-N
XLogP1.86
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-Methyl-5,6-dihydro-1,3-benzoxazole
CID 68285015
4-Ethylidene-5-propylidene-1,3-oxazole
CID 90877108
6,6-dimethyl-5H-1,3-benzoxazole
CID 118907005
N-[1-(3-methoxy-5-methylcyclohepta-1,3,6-trien-1-yl)ethenyl]methanimine
CID 123350170
5-ethyl-7-methyl-7H-cyclohepta[d][1,3]oxazole
CID 123367632
2-Propan-2-yl-10-oxa-3,8-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
CID 134590894
(4E,5E)-2-methyl-5-(3-methylbutylidene)-4-prop-2-enylidene-1,3-oxazole
CID 137427739
5,5-Dimethylcyclohepta[d][1,3]oxazole;ethane
CID 141904832
5,5-Dimethylcyclohepta[d][1,3]oxazole
CID 141904833
(4E,5E)-5-prop-2-enylidene-4-propylidene-1,3-oxazole
CID 142875414
7-methyl-6,7-dihydro-5H-cyclohepta[d][1,3]oxazole
CID 143046437
ethane;N-[(3E)-2-methoxy-5-methylhexa-1,3,5-trien-3-yl]methanimine
CID 143256194

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-[(Z)-but-2-enylidene]-4-(2-methylbutylidene)-1,3-oxazole?
The IUPAC name of (4E,5E)-5-[(Z)-but-2-enylidene]-4-(2-methylbutylidene)-1,3-oxazole (CID 142425366) is (4E,5E)-5-[(Z)-but-2-enylidene]-4-(2-methylbutylidene)-1,3-oxazole.
What is the SMILES notation for (4E,5E)-5-[(Z)-but-2-enylidene]-4-(2-methylbutylidene)-1,3-oxazole?
The canonical SMILES for (4E,5E)-5-[(Z)-but-2-enylidene]-4-(2-methylbutylidene)-1,3-oxazole is C/C=C\C=c1\ocn\c1=C\C(C)CC.
What is the InChIKey of (4E,5E)-5-[(Z)-but-2-enylidene]-4-(2-methylbutylidene)-1,3-oxazole?
The InChIKey is XPXRNBMLABZNQR-XZSRYTFWSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-6-7-12-11(13-9-14-12)8-10(3)5-2/h4,6-10H,5H2,1-3H3/b6-4-,11-8+,12-7+.
What are the key properties of (4E,5E)-5-[(Z)-but-2-enylidene]-4-(2-methylbutylidene)-1,3-oxazole?
(4E,5E)-5-[(Z)-but-2-enylidene]-4-(2-methylbutylidene)-1,3-oxazole has a molecular weight of 191.27 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-[(Z)-but-2-enylidene]-4-(2-methylbutylidene)-1,3-oxazole is sourced from PubChem (CID 142425366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).