2-methyl-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole

C8H15NO — CID 14040042

IUPAC2-methyl-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
SMILESCC1=NC(CC(C)C)CO1
InChIInChI=1S/C8H15NO/c1-6(2)4-8-5-10-7(3)9-8/h6,8H,4-5H2,1-3H3
InChIKeyXPAQHSVGNMVVPT-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.85
Rot. Bonds2

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

2-methyl-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole (PubChem CID 14040042) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-methyl-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
PubChem CID14040042
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-methyl-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
SMILESCC1=NC(CC(C)C)CO1
InChIInChI=1S/C8H15NO/c1-6(2)4-8-5-10-7(3)9-8/h6,8H,4-5H2,1-3H3
InChIKeyXPAQHSVGNMVVPT-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 2777860
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CID 6932325
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CID 11228922
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CID 10013197
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CID 15640938
CID 15640938
CID 18655975
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CID 139265660
CID 139265660
CID 139265661
CID 139265661
CID 139265668
CID 139265668
CID 139265669
CID 139265669
CID 6932326
CID 6932326
CID 11446387
CID 11446387

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-methyl-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole (CID 14040042) is 2-methyl-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-methyl-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole is CC1=NC(CC(C)C)CO1.
What is the InChIKey of 2-methyl-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is XPAQHSVGNMVVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)4-8-5-10-7(3)9-8/h6,8H,4-5H2,1-3H3.
What are the key properties of 2-methyl-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole?
2-methyl-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 141.21 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 14040042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).