ethane;2-methylidene-5-propan-2-yl-3H-1,3-oxazole

C9H17NO — CID 161488495

IUPACethane;2-methylidene-5-propan-2-yl-3H-1,3-oxazole
SMILESC=C1NC=C(C(C)C)O1.CC
InChIInChI=1S/C7H11NO.C2H6/c1-5(2)7-4-8-6(3)9-7;1-2/h4-5,8H,3H2,1-2H3;1-2H3
InChIKeyWFHFLQVESMTCCG-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.60
Rot. Bonds1

About ethane;2-methylidene-5-propan-2-yl-3H-1,3-oxazole

ethane;2-methylidene-5-propan-2-yl-3H-1,3-oxazole (PubChem CID 161488495) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is ethane;2-methylidene-5-propan-2-yl-3H-1,3-oxazole.

Molecular Properties

Compound Nameethane;2-methylidene-5-propan-2-yl-3H-1,3-oxazole
PubChem CID161488495
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Nameethane;2-methylidene-5-propan-2-yl-3H-1,3-oxazole
SMILESC=C1NC=C(C(C)C)O1.CC
InChIInChI=1S/C7H11NO.C2H6/c1-5(2)7-4-8-6(3)9-7;1-2/h4-5,8H,3H2,1-2H3;1-2H3
InChIKeyWFHFLQVESMTCCG-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-methylidene-2,4-di(propan-2-yl)-1H-pyrazole
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3-methylidene-5-propan-2-ylcyclohexene
CID 149039202
ethane;bis(2-methylpropane);4,5,6-tri(propan-2-yl)-1,3-dihydro-1,3-diazepin-2-one
CID 167544261
2,2-difluoro-6-methylidene-1-propan-2-ylpiperidine
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4,4-dimethyl-6-propan-2-yl-1,3-dioxin-2-one
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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylidene-5-propan-2-yl-3H-1,3-oxazole?
The IUPAC name of ethane;2-methylidene-5-propan-2-yl-3H-1,3-oxazole (CID 161488495) is ethane;2-methylidene-5-propan-2-yl-3H-1,3-oxazole.
What is the SMILES notation for ethane;2-methylidene-5-propan-2-yl-3H-1,3-oxazole?
The canonical SMILES for ethane;2-methylidene-5-propan-2-yl-3H-1,3-oxazole is C=C1NC=C(C(C)C)O1.CC.
What is the InChIKey of ethane;2-methylidene-5-propan-2-yl-3H-1,3-oxazole?
The InChIKey is WFHFLQVESMTCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.C2H6/c1-5(2)7-4-8-6(3)9-7;1-2/h4-5,8H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methylidene-5-propan-2-yl-3H-1,3-oxazole?
ethane;2-methylidene-5-propan-2-yl-3H-1,3-oxazole has a molecular weight of 155.24 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylidene-5-propan-2-yl-3H-1,3-oxazole is sourced from PubChem (CID 161488495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).