4-methyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole

C8H15NO — CID 144833522

IUPAC4-methyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole
SMILESCC(C)CC1ON=CC1C
InChIInChI=1S/C8H15NO/c1-6(2)4-8-7(3)5-9-10-8/h5-8H,4H2,1-3H3
InChIKeyXYNHYBATKXNBSQ-UHFFFAOYSA-N
MW141.21 g/mol
LogP2.05
Rot. Bonds2

About 4-methyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole

4-methyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole (PubChem CID 144833522) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4-methyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name4-methyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole
PubChem CID144833522
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4-methyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole
SMILESCC(C)CC1ON=CC1C
InChIInChI=1S/C8H15NO/c1-6(2)4-8-7(3)5-9-10-8/h5-8H,4H2,1-3H3
InChIKeyXYNHYBATKXNBSQ-UHFFFAOYSA-N
XLogP2.05
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S,5R)-4-methyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol
CID 11309782
(3S,4S,6R)-2-methyl-6-(2-methylpropyl)oxane-3,4,5-triol
CID 118580383
2,2-dimethyl-6-(2-methylpropyl)-5-propan-2-ylmorpholine
CID 114868494
(4S,5S)-4,5-bis(2-methylpropyl)-1,3-dioxolan-2-one
CID 131845339
(2S,3R,4S,5R)-2-(2-methylpropyl)oxane-3,4,5-triol
CID 70507894
(3S,4R,6R)-3,4,6-trimethyl-2-(2-methylpropyl)oxane
CID 153093086
(2R,3R,6S)-6-methyl-2-(2-methylpropyl)-3-prop-1-en-2-yloxane
CID 25421543
6-(2-methylpropyl)oxane-2,4,5-triol
CID 20758150
2-(2-methylpropyl)oxan-3-amine;hydrochloride
CID 75423686
(2R,3S,4R,5S)-4-amino-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol
CID 176612858
(2R,3R,4R,5S)-4-ethenyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol
CID 176613058
(5R,7R)-5-methoxy-3-methyl-7-(2-methylpropyl)-4,6-dioxa-2-azabicyclo[3.2.0]hept-2-ene
CID 102353924

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 4-methyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole (CID 144833522) is 4-methyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 4-methyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 4-methyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole is CC(C)CC1ON=CC1C.
What is the InChIKey of 4-methyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is XYNHYBATKXNBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)4-8-7(3)5-9-10-8/h5-8H,4H2,1-3H3.
What are the key properties of 4-methyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole?
4-methyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 141.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 144833522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).