3,4-dimethyl-4,5-dihydro-1,2-oxazole;ethane

C7H15NO — CID 91101327

IUPAC3,4-dimethyl-4,5-dihydro-1,2-oxazole;ethane
SMILESCC.CC1=NOCC1C
InChIInChI=1S/C5H9NO.C2H6/c1-4-3-7-6-5(4)2;1-2/h4H,3H2,1-2H3;1-2H3
InChIKeyWSTLSSIXVIQGDE-UHFFFAOYSA-N
MW129.20 g/mol
LogP2.05
Rot. Bonds

About 3,4-dimethyl-4,5-dihydro-1,2-oxazole;ethane

3,4-dimethyl-4,5-dihydro-1,2-oxazole;ethane (PubChem CID 91101327) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3,4-dimethyl-4,5-dihydro-1,2-oxazole;ethane.

Molecular Properties

Compound Name3,4-dimethyl-4,5-dihydro-1,2-oxazole;ethane
PubChem CID91101327
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3,4-dimethyl-4,5-dihydro-1,2-oxazole;ethane
SMILESCC.CC1=NOCC1C
InChIInChI=1S/C5H9NO.C2H6/c1-4-3-7-6-5(4)2;1-2/h4H,3H2,1-2H3;1-2H3
InChIKeyWSTLSSIXVIQGDE-UHFFFAOYSA-N
XLogP2.05
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole
CID 89187993
(4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole;ethane
CID 158785233
4-methyl-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
CID 154391398
(4S)-2,4,5-trimethyl-3,4-dihydropyrazole
CID 144949916
3-methyl-4-oxo-5,6-dihydro-1,4,2-oxathiazine-5-carboxamide
CID 142566287
ethane;3-methyl-4,5-dihydro-1,2-oxazol-5-ol
CID 143101190
3,6-dimethyl-5,6-dihydro-1,4,2-dioxazine
CID 59168915
3,4,10,11,17,18-hexamethyl-1,6,8,13,15,20-hexaoxa-2,5,9,12,16,19-hexazacyclohenicosa-2,4,9,11,16,18-hexaene
CID 535829
3-(1,3-dimethylpyrazol-4-yl)-5-methyl-5,6-dihydro-1,4,2-dioxazine
CID 141169619
5-cyclopentyl-3-methyl-4,5-dihydro-1,2-oxazole
CID 134260939
(3aR,6aR)-4,4-difluoro-3-methyl-3a,4a,5,5a,6,6a-hexahydrocyclopropa[f][1,2]benzoxazole
CID 118070158
2,3,6-trimethyl-3,4-dihydropyridine
CID 77393437

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-4,5-dihydro-1,2-oxazole;ethane?
The IUPAC name of 3,4-dimethyl-4,5-dihydro-1,2-oxazole;ethane (CID 91101327) is 3,4-dimethyl-4,5-dihydro-1,2-oxazole;ethane.
What is the SMILES notation for 3,4-dimethyl-4,5-dihydro-1,2-oxazole;ethane?
The canonical SMILES for 3,4-dimethyl-4,5-dihydro-1,2-oxazole;ethane is CC.CC1=NOCC1C.
What is the InChIKey of 3,4-dimethyl-4,5-dihydro-1,2-oxazole;ethane?
The InChIKey is WSTLSSIXVIQGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C2H6/c1-4-3-7-6-5(4)2;1-2/h4H,3H2,1-2H3;1-2H3.
What are the key properties of 3,4-dimethyl-4,5-dihydro-1,2-oxazole;ethane?
3,4-dimethyl-4,5-dihydro-1,2-oxazole;ethane has a molecular weight of 129.20 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-4,5-dihydro-1,2-oxazole;ethane is sourced from PubChem (CID 91101327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).