ethane;2-propan-2-yl-1,3-oxazole

C8H15NO — CID 143094389

IUPACethane;2-propan-2-yl-1,3-oxazole
SMILESCC.CC(C)c1ncco1
InChIInChI=1S/C6H9NO.C2H6/c1-5(2)6-7-3-4-8-6;1-2/h3-5H,1-2H3;1-2H3
InChIKeyLGQJIDJBCIYUMF-UHFFFAOYSA-N
MW141.21 g/mol
LogP2.82
Rot. Bonds1

About ethane;2-propan-2-yl-1,3-oxazole

ethane;2-propan-2-yl-1,3-oxazole (PubChem CID 143094389) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is ethane;2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Nameethane;2-propan-2-yl-1,3-oxazole
PubChem CID143094389
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Nameethane;2-propan-2-yl-1,3-oxazole
SMILESCC.CC(C)c1ncco1
InChIInChI=1S/C6H9NO.C2H6/c1-5(2)6-7-3-4-8-6;1-2/h3-5H,1-2H3;1-2H3
InChIKeyLGQJIDJBCIYUMF-UHFFFAOYSA-N
XLogP2.82
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(1,3-oxazol-2-yl)ethanamine
CID 28924825
2-[(1R)-1-iodoethyl]-1,3-oxazole
CID 149131745
1-(1,3-oxazol-2-yl)ethanethiol
CID 142401633
2-[(2S)-butan-2-yl]-1,3-oxazole
CID 89019255
2-(1-imidazol-1-ylethyl)-1,3-oxazole
CID 174586320
2-(1,3-oxazol-2-yl)propanenitrile
CID 119087354
2-(difluoromethyl)-1,3-oxazole
CID 142510645
2-(dichloromethyl)-1,3-oxazole
CID 53407610
2-(2-methylpentan-3-yl)-1,3-oxazole
CID 170118865
(1S,2S)-2-methyl-1-(1,3-oxazol-2-yl)butan-1-amine
CID 166692011
2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-amine
CID 82416552
4-tert-butyl-1,3-oxazole;methane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole
CID 158673525

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yl-1,3-oxazole?
The IUPAC name of ethane;2-propan-2-yl-1,3-oxazole (CID 143094389) is ethane;2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for ethane;2-propan-2-yl-1,3-oxazole?
The canonical SMILES for ethane;2-propan-2-yl-1,3-oxazole is CC.CC(C)c1ncco1.
What is the InChIKey of ethane;2-propan-2-yl-1,3-oxazole?
The InChIKey is LGQJIDJBCIYUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C2H6/c1-5(2)6-7-3-4-8-6;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of ethane;2-propan-2-yl-1,3-oxazole?
ethane;2-propan-2-yl-1,3-oxazole has a molecular weight of 141.21 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 143094389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).