ethane;3-methyl-4,5-dihydro-1,2-oxazol-5-ol

C8H19NO2 — CID 143101190

IUPACethane;3-methyl-4,5-dihydro-1,2-oxazol-5-ol
SMILESCC.CC.CC1=NOC(O)C1
InChIInChI=1S/C4H7NO2.2C2H6/c1-3-2-4(6)7-5-3;2*1-2/h4,6H,2H2,1H3;2*1-2H3
InChIKeyDVDPVJLMLRHYOZ-UHFFFAOYSA-N
MW161.24 g/mol
LogP2.15
Rot. Bonds

About ethane;3-methyl-4,5-dihydro-1,2-oxazol-5-ol

ethane;3-methyl-4,5-dihydro-1,2-oxazol-5-ol (PubChem CID 143101190) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is ethane;3-methyl-4,5-dihydro-1,2-oxazol-5-ol.

Molecular Properties

Compound Nameethane;3-methyl-4,5-dihydro-1,2-oxazol-5-ol
PubChem CID143101190
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Nameethane;3-methyl-4,5-dihydro-1,2-oxazol-5-ol
SMILESCC.CC.CC1=NOC(O)C1
InChIInChI=1S/C4H7NO2.2C2H6/c1-3-2-4(6)7-5-3;2*1-2/h4,6H,2H2,1H3;2*1-2H3
InChIKeyDVDPVJLMLRHYOZ-UHFFFAOYSA-N
XLogP2.15
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-3-methyl-4,5-dihydro-1,2-oxazole
CID 90455407
5-methanidyl-3-methyl-4,5-dihydro-1,2-oxazole;yttrium
CID 58618695
5-(difluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 142566225
3-(3,5-ditert-butyl-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-ol;ethane
CID 174441620
N-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanimine
CID 129026318
(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
CID 6420656
N-hydroxy-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 20694525
4-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]phenol
CID 143618145
(5S)-3-methyl-5-propyl-4,5-dihydro-1,2-oxazole
CID 58667247
5-cyclopentyl-3-methyl-4,5-dihydro-1,2-oxazole
CID 134260939
5-(dimethoxymethyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 77174780
3-methyl-5-prop-1-ynyl-4,5-dihydro-1,2-oxazole
CID 139837831

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-4,5-dihydro-1,2-oxazol-5-ol?
The IUPAC name of ethane;3-methyl-4,5-dihydro-1,2-oxazol-5-ol (CID 143101190) is ethane;3-methyl-4,5-dihydro-1,2-oxazol-5-ol.
What is the SMILES notation for ethane;3-methyl-4,5-dihydro-1,2-oxazol-5-ol?
The canonical SMILES for ethane;3-methyl-4,5-dihydro-1,2-oxazol-5-ol is CC.CC.CC1=NOC(O)C1.
What is the InChIKey of ethane;3-methyl-4,5-dihydro-1,2-oxazol-5-ol?
The InChIKey is DVDPVJLMLRHYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2.2C2H6/c1-3-2-4(6)7-5-3;2*1-2/h4,6H,2H2,1H3;2*1-2H3.
What are the key properties of ethane;3-methyl-4,5-dihydro-1,2-oxazol-5-ol?
ethane;3-methyl-4,5-dihydro-1,2-oxazol-5-ol has a molecular weight of 161.24 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-4,5-dihydro-1,2-oxazol-5-ol is sourced from PubChem (CID 143101190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).