4-(2,2-dimethylpropyl)-4,5-dihydro-1,3-oxazole

C8H15NO — CID 139886570

IUPAC4-(2,2-dimethylpropyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)CC1COC=N1
InChIInChI=1S/C8H15NO/c1-8(2,3)4-7-5-10-6-9-7/h6-7H,4-5H2,1-3H3
InChIKeyDLMCBIDWOJLTCS-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.85
Rot. Bonds1

About 4-(2,2-dimethylpropyl)-4,5-dihydro-1,3-oxazole

4-(2,2-dimethylpropyl)-4,5-dihydro-1,3-oxazole (PubChem CID 139886570) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-4,5-dihydro-1,3-oxazole
PubChem CID139886570
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4-(2,2-dimethylpropyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)CC1COC=N1
InChIInChI=1S/C8H15NO/c1-8(2,3)4-7-5-10-6-9-7/h6-7H,4-5H2,1-3H3
InChIKeyDLMCBIDWOJLTCS-UHFFFAOYSA-N
XLogP1.85
TPSA21.59 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 ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dihydro-1,3-oxazol-4-ylmethanethiol
CID 90791132
2-(4,5-dihydro-1,3-oxazol-4-yl)ethanamine
CID 115061089
2-(2,2-dimethylpropyl)-2,3-dihydropyridine
CID 123985988
(2R)-2-(2,2-dimethylpropyl)oxirane
CID 15053925
4-[2-(3,4-difluorophenyl)butyl]-4,5-dihydro-1,3-oxazole
CID 151254887
2-(2,2-dimethylpropyl)oxolane-3,4-diol
CID 20732647
(2S,3S,4R)-2-(2,2-dimethylpropyl)oxolane-3,4-diol
CID 157122722
4,5-dihydro-1,3-oxazole-4-carbonitrile
CID 67242651
N-(4,5-dihydro-1,3-oxazol-4-ylmethyl)-N-ethyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 90769244
(3S)-3-(2,2-dimethylpropyl)oxolane
CID 139100718
3-(2,2-dimethylpropyl)-2-methyloxetane
CID 118284226
6-(2,2-dimethylpropyl)-6H-1,3-oxazine
CID 129276519

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(2,2-dimethylpropyl)-4,5-dihydro-1,3-oxazole (CID 139886570) is 4-(2,2-dimethylpropyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(2,2-dimethylpropyl)-4,5-dihydro-1,3-oxazole is CC(C)(C)CC1COC=N1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is DLMCBIDWOJLTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-8(2,3)4-7-5-10-6-9-7/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropyl)-4,5-dihydro-1,3-oxazole?
4-(2,2-dimethylpropyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 141.21 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 139886570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).