ethane;methane;(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)-1,2-oxazole

C11H19NO — CID 143256330

IUPACethane;methane;(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)-1,2-oxazole
SMILESC.C=C(C)/C=c1/cnoc1=C.CC
InChIInChI=1S/C8H9NO.C2H6.CH4/c1-6(2)4-8-5-9-10-7(8)3;1-2;/h4-5H,1,3H2,2H3;1-2H3;1H4/b8-4-;;
InChIKeyPSUQIUSRGCQFGV-QSELPZCXSA-N
MW181.28 g/mol
LogP2.10
Rot. Bonds1

About ethane;methane;(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)-1,2-oxazole

ethane;methane;(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)-1,2-oxazole (PubChem CID 143256330) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is ethane;methane;(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)-1,2-oxazole.

Molecular Properties

Compound Nameethane;methane;(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)-1,2-oxazole
PubChem CID143256330
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Nameethane;methane;(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)-1,2-oxazole
SMILESC.C=C(C)/C=c1/cnoc1=C.CC
InChIInChI=1S/C8H9NO.C2H6.CH4/c1-6(2)4-8-5-9-10-7(8)3;1-2;/h4-5H,1,3H2,2H3;1-2H3;1H4/b8-4-;;
InChIKeyPSUQIUSRGCQFGV-QSELPZCXSA-N
XLogP2.10
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4Z)-4-(2-fluoropent-1-en-3-ylidene)-5-methylidene-1,2-oxazole
CID 156867718
(z)-4-Methylene-5-propylidene-2-oxazolidine
CID 129708989
(5E)-5-(3-fluorobut-3-en-2-ylidene)-4-methylidene-1,2-oxazole
CID 156867733
4,5-Di(propan-2-ylidene)-1,2-oxazole
CID 57564396
4-Methyl-5,6-dihydro-1,2-benzoxazole
CID 68285165
7H-cyclohepta[d][1,2]oxazole
CID 90957562
7-methyl-7H-cyclohepta[d][1,2]oxazole
CID 123808995
(4Z,5E)-5-ethylidene-4-prop-2-enylidene-1,2-oxazole
CID 138518868
(4Z,5E)-4,5-bis(prop-2-enylidene)-1,2-oxazole
CID 142219564
ethane;(Z,3E,5Z,7Z)-N-methoxy-6-methyl-2-methylidenenona-3,5,7-trien-1-imine
CID 142804778
5H-cyclohepta[d][1,2]oxazole;ethane
CID 142873810
(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1,2-oxazole
CID 143124033

Frequently Asked Questions

What is the IUPAC name of ethane;methane;(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)-1,2-oxazole?
The IUPAC name of ethane;methane;(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)-1,2-oxazole (CID 143256330) is ethane;methane;(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)-1,2-oxazole.
What is the SMILES notation for ethane;methane;(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)-1,2-oxazole?
The canonical SMILES for ethane;methane;(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)-1,2-oxazole is C.C=C(C)/C=c1/cnoc1=C.CC.
What is the InChIKey of ethane;methane;(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)-1,2-oxazole?
The InChIKey is PSUQIUSRGCQFGV-QSELPZCXSA-N. The full InChI is InChI=1S/C8H9NO.C2H6.CH4/c1-6(2)4-8-5-9-10-7(8)3;1-2;/h4-5H,1,3H2,2H3;1-2H3;1H4/b8-4-;;.
What are the key properties of ethane;methane;(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)-1,2-oxazole?
ethane;methane;(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)-1,2-oxazole has a molecular weight of 181.28 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)-1,2-oxazole is sourced from PubChem (CID 143256330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).